2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide

C14H19ClN2O — CID 64501725

IUPAC2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
SMILESCCC1CCC(Nc2ccc(C(N)=O)c(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O/c1-2-9-3-4-10(7-9)17-11-5-6-12(14(16)18)13(15)8-11/h5-6,8-10,17H,2-4,7H2,1H3,(H2,16,18)
InChIKeyQCENEVIXMCGCSS-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.43
Rot. Bonds4

About 2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide

2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide (PubChem CID 64501725) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
PubChem CID64501725
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
SMILESCCC1CCC(Nc2ccc(C(N)=O)c(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O/c1-2-9-3-4-10(7-9)17-11-5-6-12(14(16)18)13(15)8-11/h5-6,8-10,17H,2-4,7H2,1H3,(H2,16,18)
InChIKeyQCENEVIXMCGCSS-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide
CID 79111094
3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline
CID 64502448
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418
2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
CID 64743019
2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43736426
N-(4-carbamoyl-3-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114428317
2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541224
4-(azepan-4-ylamino)-2-chlorobenzamide
CID 103981405
5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide
CID 65084046
2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
CID 43736506
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-2-chlorobenzamide
CID 55152995
2-chloro-4-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]benzamide
CID 115348892

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide?
The IUPAC name of 2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide (CID 64501725) is 2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide.
What is the SMILES notation for 2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide?
The canonical SMILES for 2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide is CCC1CCC(Nc2ccc(C(N)=O)c(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide?
The InChIKey is QCENEVIXMCGCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-9-3-4-10(7-9)17-11-5-6-12(14(16)18)13(15)8-11/h5-6,8-10,17H,2-4,7H2,1H3,(H2,16,18).
What are the key properties of 2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide?
2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide has a molecular weight of 266.77 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide is sourced from PubChem (CID 64501725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).