N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide

C13H15ClF2N2O — CID 119603606

IUPACN-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide
SMILESNCC1CCCC1NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H15ClF2N2O/c14-9-5-11(16)10(15)4-8(9)13(19)18-12-3-1-2-7(12)6-17/h4-5,7,12H,1-3,6,17H2,(H,18,19)
InChIKeyZGITWPPLNDLPBA-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.48
Rot. Bonds3

About N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide

N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide (PubChem CID 119603606) has the molecular formula C13H15ClF2N2O and a molecular weight of 288.73 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide
PubChem CID119603606
Molecular FormulaC13H15ClF2N2O
Molecular Weight288.73 g/mol
Exact Mass288.08
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide
SMILESNCC1CCCC1NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H15ClF2N2O/c14-9-5-11(16)10(15)4-8(9)13(19)18-12-3-1-2-7(12)6-17/h4-5,7,12H,1-3,6,17H2,(H,18,19)
InChIKeyZGITWPPLNDLPBA-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103773984
4-chloro-2,5-difluoro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103873963
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551
N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
CID 119612232
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzamide;hydrochloride
CID 119601070
N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide
CID 103807257
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
2,4-dichloro-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751403
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 124698653
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 124702358
N-[2-(aminomethyl)cyclopentyl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 119600509

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide (CID 119603606) is N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide is NCC1CCCC1NC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide?
The InChIKey is ZGITWPPLNDLPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O/c14-9-5-11(16)10(15)4-8(9)13(19)18-12-3-1-2-7(12)6-17/h4-5,7,12H,1-3,6,17H2,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide?
N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide has a molecular weight of 288.73 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide is sourced from PubChem (CID 119603606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).