N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile

C19H23ClF2N2O — CID 170580331

IUPACN-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile
SMILESC#N.O=C(NC(c1c(F)ccc(Cl)c1F)C1CCCC1)C1CCCC1
InChIInChI=1S/C18H22ClF2NO.CHN/c19-13-9-10-14(20)15(16(13)21)17(11-5-1-2-6-11)22-18(23)12-7-3-4-8-12;1-2/h9-12,17H,1-8H2,(H,22,23);1H
InChIKeyUJAUHKCWTYKTHE-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.30
Rot. Bonds4

About N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile

N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile (PubChem CID 170580331) has the molecular formula C19H23ClF2N2O and a molecular weight of 368.86 g/mol. Its IUPAC name is N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile.

Molecular Properties

Compound NameN-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile
PubChem CID170580331
Molecular FormulaC19H23ClF2N2O
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC NameN-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile
SMILESC#N.O=C(NC(c1c(F)ccc(Cl)c1F)C1CCCC1)C1CCCC1
InChIInChI=1S/C18H22ClF2NO.CHN/c19-13-9-10-14(20)15(16(13)21)17(11-5-1-2-6-11)22-18(23)12-7-3-4-8-12;1-2/h9-12,17H,1-8H2,(H,22,23);1H
InChIKeyUJAUHKCWTYKTHE-UHFFFAOYSA-N
XLogP5.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile 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-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
CID 170578853
acetamide;N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide
CID 170580687
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]-2-oxo-1-azaspiro[3.3]heptane-6-carboxamide
CID 170578816
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide
CID 170579084
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]-3-(ethylcarbamoylamino)-2-methylpropanamide
CID 170579094
tert-butyl N-[(2S,3S)-1-[[(S)-(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamate
CID 170579961
(5R,7R,9R)-N-[(R)-(3-chloro-6-fluoro-2-methylphenyl)-cyclopentylmethyl]-9-methyl-4-oxo-1,3-diazaspiro[4.4]nonane-7-carboxamide
CID 170580812
N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide
CID 170580433
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;N-cyclobutyl-2-pyridin-3-ylacetamide
CID 170581089
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]formamide;1-hexyl-1,3-dimethylurea
CID 170580930
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile?
The IUPAC name of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile (CID 170580331) is N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile.
What is the SMILES notation for N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile?
The canonical SMILES for N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile is C#N.O=C(NC(c1c(F)ccc(Cl)c1F)C1CCCC1)C1CCCC1.
What is the InChIKey of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile?
The InChIKey is UJAUHKCWTYKTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF2NO.CHN/c19-13-9-10-14(20)15(16(13)21)17(11-5-1-2-6-11)22-18(23)12-7-3-4-8-12;1-2/h9-12,17H,1-8H2,(H,22,23);1H.
What are the key properties of N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile?
N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile has a molecular weight of 368.86 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2,6-difluorophenyl)-cyclopentylmethyl]cyclopentanecarboxamide;formonitrile is sourced from PubChem (CID 170580331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).