(2-amino-5-chlorophenyl)-cyclopentylmethanone

C12H14ClNO — CID 57148453

IUPAC(2-amino-5-chlorophenyl)-cyclopentylmethanone
SMILESNc1ccc(Cl)cc1C(=O)C1CCCC1
InChIInChI=1S/C12H14ClNO/c13-9-5-6-11(14)10(7-9)12(15)8-3-1-2-4-8/h5-8H,1-4,14H2
InChIKeyPBNYFOJOGZYMEB-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.30
Rot. Bonds2

About (2-amino-5-chlorophenyl)-cyclopentylmethanone

(2-amino-5-chlorophenyl)-cyclopentylmethanone (PubChem CID 57148453) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-cyclopentylmethanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-cyclopentylmethanone
PubChem CID57148453
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name(2-amino-5-chlorophenyl)-cyclopentylmethanone
SMILESNc1ccc(Cl)cc1C(=O)C1CCCC1
InChIInChI=1S/C12H14ClNO/c13-9-5-6-11(14)10(7-9)12(15)8-3-1-2-4-8/h5-8H,1-4,14H2
InChIKeyPBNYFOJOGZYMEB-UHFFFAOYSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-bromophenyl)-cyclopentylmethanone
CID 66998843
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
cyclobutyl-(2,4-dichlorophenyl)methanone
CID 24724148
(2-amino-4-bromophenyl)-cyclopentylmethanone
CID 116591688
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
cyclohexyl-(2,5-dichloro-3-fluorophenyl)methanone
CID 146009541
(5-bromo-2-fluorophenyl)-cyclohexylmethanone
CID 79742820
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646
(2-amino-4-chlorophenyl)-(oxan-3-yl)methanone;hydrochloride
CID 122164181
cyclohexyl-[3,6-diamino-2-(cyclohexanecarbonyl)phenyl]methanone
CID 175039329
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-cyclopentylmethanone?
The IUPAC name of (2-amino-5-chlorophenyl)-cyclopentylmethanone (CID 57148453) is (2-amino-5-chlorophenyl)-cyclopentylmethanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-cyclopentylmethanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-cyclopentylmethanone is Nc1ccc(Cl)cc1C(=O)C1CCCC1.
What is the InChIKey of (2-amino-5-chlorophenyl)-cyclopentylmethanone?
The InChIKey is PBNYFOJOGZYMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-9-5-6-11(14)10(7-9)12(15)8-3-1-2-4-8/h5-8H,1-4,14H2.
What are the key properties of (2-amino-5-chlorophenyl)-cyclopentylmethanone?
(2-amino-5-chlorophenyl)-cyclopentylmethanone has a molecular weight of 223.70 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-cyclopentylmethanone is sourced from PubChem (CID 57148453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).