4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide

C12H16ClN3O — CID 63251907

IUPAC4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide
SMILESNC(=O)c1ccc(NC2CCCC2N)c(Cl)c1
InChIInChI=1S/C12H16ClN3O/c13-8-6-7(12(15)17)4-5-10(8)16-11-3-1-2-9(11)14/h4-6,9,11,16H,1-3,14H2,(H2,15,17)
InChIKeyKFGDIPCBCIIFCX-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.73
Rot. Bonds3

About 4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide

4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide (PubChem CID 63251907) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide
PubChem CID63251907
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide
SMILESNC(=O)c1ccc(NC2CCCC2N)c(Cl)c1
InChIInChI=1S/C12H16ClN3O/c13-8-6-7(12(15)17)4-5-10(8)16-11-3-1-2-9(11)14/h4-6,9,11,16H,1-3,14H2,(H2,15,17)
InChIKeyKFGDIPCBCIIFCX-UHFFFAOYSA-N
XLogP1.73
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-aminocyclopentyl)amino]-3-fluorobenzamide
CID 55169514
3-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]benzoic acid
CID 106364831
2-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chlorobenzamide
CID 102738776
1-N-(2-chloro-4-methoxyphenyl)cyclopentane-1,2-diamine
CID 115117153
4-(azepan-4-ylamino)-3-chlorobenzamide
CID 23068137
[2-(4-amino-2-chloroanilino)cyclopentyl]methanol
CID 106359015
4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzamide
CID 63092116
2-[(2-aminocycloheptyl)amino]-6-chlorobenzamide
CID 63258411
3-amino-4-[(2-methylcyclopentyl)amino]benzamide
CID 63278285
N-(2-aminocyclopentyl)-3-chloro-4-hydroxybenzamide
CID 63251551
2-[(2-aminocyclopentyl)amino]-5-(trifluoromethyl)benzamide
CID 63252319
3-chloro-4-[(2-methylcyclohexyl)amino]benzenecarbothioamide
CID 55181997

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide?
The IUPAC name of 4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide (CID 63251907) is 4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide.
What is the SMILES notation for 4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide?
The canonical SMILES for 4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide is NC(=O)c1ccc(NC2CCCC2N)c(Cl)c1.
What is the InChIKey of 4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide?
The InChIKey is KFGDIPCBCIIFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-8-6-7(12(15)17)4-5-10(8)16-11-3-1-2-9(11)14/h4-6,9,11,16H,1-3,14H2,(H2,15,17).
What are the key properties of 4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide?
4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide has a molecular weight of 253.73 g/mol, XLogP of 1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclopentyl)amino]-3-chlorobenzamide is sourced from PubChem (CID 63251907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).