3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide

C14H19ClN2O — CID 79855162

IUPAC3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide
SMILESCC1(C)CCCC1NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C14H19ClN2O/c1-14(2)7-3-4-12(14)17-13(18)9-5-6-10(15)11(16)8-9/h5-6,8,12H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyXOYZNYMOPHIBKE-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.23
Rot. Bonds2

About 3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide

3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide (PubChem CID 79855162) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide
PubChem CID79855162
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide
SMILESCC1(C)CCCC1NC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C14H19ClN2O/c1-14(2)7-3-4-12(14)17-13(18)9-5-6-10(15)11(16)8-9/h5-6,8,12H,3-4,7,16H2,1-2H3,(H,17,18)
InChIKeyXOYZNYMOPHIBKE-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79840670
N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79878341
3-[(2,2-dimethylcyclopentyl)carbamoyl]benzoic acid
CID 79872488
3-chloro-N-(2,2-dimethylcyclohexyl)-4-nitrobenzamide
CID 82778025
3,5-diamino-N-(2,2-dimethylcyclohexyl)benzamide
CID 79855552
3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965109
3-amino-4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 94413683
6-amino-3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-2-carboxamide
CID 79873055
3-[(2,2-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 79872227
N-(2,2-dimethylcyclopentyl)-6-hydrazinylpyridine-3-carboxamide
CID 79872506
N-(2,2-dimethylcyclopentyl)-2-fluoropyridine-4-carboxamide
CID 79833930
3-(2-aminoethyl)-N-(2,2-dimethylcyclopentyl)benzamide
CID 79856078

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide (CID 79855162) is 3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide is CC1(C)CCCC1NC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide?
The InChIKey is XOYZNYMOPHIBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-14(2)7-3-4-12(14)17-13(18)9-5-6-10(15)11(16)8-9/h5-6,8,12H,3-4,7,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide?
3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide has a molecular weight of 266.77 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2,2-dimethylcyclopentyl)benzamide is sourced from PubChem (CID 79855162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).