N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride

C14H19Cl2N3O2 — CID 119700272

IUPACN-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)C2CCC(N)C2)cc1Cl.Cl
InChIInChI=1S/C14H18ClN3O2.ClH/c1-8(19)17-13-5-4-11(7-12(13)15)18-14(20)9-2-3-10(16)6-9;/h4-5,7,9-10H,2-3,6,16H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyQLDOYSMWBCFMGM-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.79
Rot. Bonds3

About N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride

N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride (PubChem CID 119700272) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
PubChem CID119700272
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC NameN-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)C2CCC(N)C2)cc1Cl.Cl
InChIInChI=1S/C14H18ClN3O2.ClH/c1-8(19)17-13-5-4-11(7-12(13)15)18-14(20)9-2-3-10(16)6-9;/h4-5,7,9-10H,2-3,6,16H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyQLDOYSMWBCFMGM-UHFFFAOYSA-N
XLogP2.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 66008946
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500
4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711657
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
CID 133116598
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
N-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide
CID 79723981
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713023
3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779701

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride (CID 119700272) is N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride is CC(=O)Nc1ccc(NC(=O)C2CCC(N)C2)cc1Cl.Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride?
The InChIKey is QLDOYSMWBCFMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2.ClH/c1-8(19)17-13-5-4-11(7-12(13)15)18-14(20)9-2-3-10(16)6-9;/h4-5,7,9-10H,2-3,6,16H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride?
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride has a molecular weight of 332.23 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119700272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).