N-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium

C22H29Cl2CrF3N2O — CID 170580278

IUPACN-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium
SMILESC=[Cr].CC(=O)NC1CCCC1.CNC(c1c(F)ccc(Cl)c1Cl)C1CCC2C1C2(F)F
InChIInChI=1S/C14H14Cl2F3N.C7H13NO.CH2.Cr/c1-20-13(6-2-3-7-11(6)14(7,18)19)10-9(17)5-4-8(15)12(10)16;1-6(9)8-7-4-2-3-5-7;;/h4-7,11,13,20H,2-3H2,1H3;7H,2-5H2,1H3,(H,8,9);1H2;
InChIKeyLCUDNJMITQXVAM-UHFFFAOYSA-N
MW517.38 g/mol
LogP5.71
Rot. Bonds4

About N-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium

N-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium (PubChem CID 170580278) has the molecular formula C22H29Cl2CrF3N2O and a molecular weight of 517.38 g/mol. Its IUPAC name is N-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium.

Molecular Properties

Compound NameN-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium
PubChem CID170580278
Molecular FormulaC22H29Cl2CrF3N2O
Molecular Weight517.38 g/mol
Exact Mass516.10
IUPAC NameN-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium
SMILESC=[Cr].CC(=O)NC1CCCC1.CNC(c1c(F)ccc(Cl)c1Cl)C1CCC2C1C2(F)F
InChIInChI=1S/C14H14Cl2F3N.C7H13NO.CH2.Cr/c1-20-13(6-2-3-7-11(6)14(7,18)19)10-9(17)5-4-8(15)12(10)16;1-6(9)8-7-4-2-3-5-7;;/h4-7,11,13,20H,2-3H2,1H3;7H,2-5H2,1H3,(H,8,9);1H2;
InChIKeyLCUDNJMITQXVAM-UHFFFAOYSA-N
XLogP5.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.38
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide
CID 170580433
(2S)-N-[(1S,3S)-3-acetamidocyclopentyl]-2-(3-chloro-2,6-difluorophenyl)-2-(4-fluoro-1-bicyclo[2.2.1]heptanyl)acetamide
CID 175988271
acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
CID 170580687
(1S,2R,4S)-4-acetamido-N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-2-(hydroxymethyl)cyclopentane-1-carboxamide
CID 170330228
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile
CID 170580331
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
CID 170578853
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]cyclooctanamine
CID 43545045
(1R)-3-acetamido-N-[(R)-1-bicyclo[2.2.1]heptanyl-(3-chloro-2,6-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 170579077
(2,6-dichloro-3-fluorophenyl)-(methylamino)methanol
CID 134268841
cis-(3S,4R)-3-acetamido-N-[(S)-(2,3-dichloro-6-fluorophenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]-4-(methylamino)cyclopentane-1-carboxamide
CID 170330326
(1R,3S,4R)-3-acetamido-N-[(S)-(2,3-dichloro-6-fluorophenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]-4-(methylamino)cyclopentane-1-carboxamide
CID 170330421
(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dichloro-6-fluorophenyl)ethanol
CID 171265841

Frequently Asked Questions

What is the IUPAC name of N-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium?
The IUPAC name of N-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium (CID 170580278) is N-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium.
What is the SMILES notation for N-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium?
The canonical SMILES for N-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium is C=[Cr].CC(=O)NC1CCCC1.CNC(c1c(F)ccc(Cl)c1Cl)C1CCC2C1C2(F)F.
What is the InChIKey of N-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium?
The InChIKey is LCUDNJMITQXVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2F3N.C7H13NO.CH2.Cr/c1-20-13(6-2-3-7-11(6)14(7,18)19)10-9(17)5-4-8(15)12(10)16;1-6(9)8-7-4-2-3-5-7;;/h4-7,11,13,20H,2-3H2,1H3;7H,2-5H2,1H3,(H,8,9);1H2;.
What are the key properties of N-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium?
N-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium has a molecular weight of 517.38 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentylacetamide;1-(2,3-dichloro-6-fluorophenyl)-1-(6,6-difluoro-2-bicyclo[3.1.0]hexanyl)-N-methylmethanamine;methylidenechromium is sourced from PubChem (CID 170580278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).