N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide

C25H37Cl2FN2O2 — CID 170581301

IUPACN-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide
SMILESCC(C)CCC(N)=O.CC1(C(NC(=O)C2CCCC2)c2c(F)ccc(Cl)c2Cl)CCCC1
InChIInChI=1S/C19H24Cl2FNO.C6H13NO/c1-19(10-4-5-11-19)17(23-18(24)12-6-2-3-7-12)15-14(22)9-8-13(20)16(15)21;1-5(2)3-4-6(7)8/h8-9,12,17H,2-7,10-11H2,1H3,(H,23,24);5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyBWOJPPIBJQAFTB-UHFFFAOYSA-N
MW487.49 g/mol
LogP6.97
Rot. Bonds7

About N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide

N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide (PubChem CID 170581301) has the molecular formula C25H37Cl2FN2O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide.

Molecular Properties

Compound NameN-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide
PubChem CID170581301
Molecular FormulaC25H37Cl2FN2O2
Molecular Weight487.49 g/mol
Exact Mass486.22
IUPAC NameN-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide
SMILESCC(C)CCC(N)=O.CC1(C(NC(=O)C2CCCC2)c2c(F)ccc(Cl)c2Cl)CCCC1
InChIInChI=1S/C19H24Cl2FNO.C6H13NO/c1-19(10-4-5-11-19)17(23-18(24)12-6-2-3-7-12)15-14(22)9-8-13(20)16(15)21;1-5(2)3-4-6(7)8/h8-9,12,17H,2-7,10-11H2,1H3,(H,23,24);5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyBWOJPPIBJQAFTB-UHFFFAOYSA-N
XLogP6.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.49
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide 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

trans-(1R,3R)-3-amino-N-[(R)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 170330440
N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 170579105
N-[(2,3-dichloro-6-fluorophenyl)-[1-(difluoromethyl)cyclopentyl]methyl]cyclopentanecarboxamide
CID 170580433
3-acetamido-4-amino-N-[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 170330453
trans-(1R,3R)-N-[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-3-[(2-methoxyacetyl)amino]cyclopentane-1-carboxamide
CID 170581014
(3R)-1-buta-1,3-dien-2-ylsulfanyl-N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]pyrrolidine-3-carboxamide
CID 170580201
N-[(1R,3R)-3-[[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]carbamoyl]cyclopentyl]oxetane-3-carboxamide
CID 170580644
cis-(1S,3R)-N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-3-[[(2R)-2-phenylpropanoyl]amino]cyclopentane-1-carboxamide
CID 170579368
(8S)-N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-8-hydroxy-2-methylnonanamide
CID 170580845
CID 170580865
CID 170580865
N-[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]-3-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxamide
CID 170330311
[(1R,2R)-1-tert-butyl-4-[[(S)-(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]carbamoyl]-2-hydroxycyclopentyl] carbamate
CID 177248784

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide?
The IUPAC name of N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide (CID 170581301) is N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide.
What is the SMILES notation for N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide?
The canonical SMILES for N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide is CC(C)CCC(N)=O.CC1(C(NC(=O)C2CCCC2)c2c(F)ccc(Cl)c2Cl)CCCC1.
What is the InChIKey of N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide?
The InChIKey is BWOJPPIBJQAFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2FNO.C6H13NO/c1-19(10-4-5-11-19)17(23-18(24)12-6-2-3-7-12)15-14(22)9-8-13(20)16(15)21;1-5(2)3-4-6(7)8/h8-9,12,17H,2-7,10-11H2,1H3,(H,23,24);5H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide?
N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide has a molecular weight of 487.49 g/mol, XLogP of 6.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichloro-6-fluorophenyl)-(1-methylcyclopentyl)methyl]cyclopentanecarboxamide;4-methylpentanamide is sourced from PubChem (CID 170581301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).