1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone

C11H14ClNO2 — CID 82535645

IUPAC1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(NCCCO)c1
InChIInChI=1S/C11H14ClNO2/c1-8(15)9-3-4-10(12)11(7-9)13-5-2-6-14/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyHFBMHBQWLPRUIP-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.34
Rot. Bonds5

About 1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone

1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone (PubChem CID 82535645) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone
PubChem CID82535645
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(NCCCO)c1
InChIInChI=1S/C11H14ClNO2/c1-8(15)9-3-4-10(12)11(7-9)13-5-2-6-14/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyHFBMHBQWLPRUIP-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone
CID 82535653
N-[4-chloro-3-(5-hydroxypentylamino)phenyl]acetamide
CID 111770386
4-chloro-3-(pentylamino)benzamide
CID 43679378
4-chloro-3-(hexylamino)benzamide
CID 43679410
4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
CID 43738706
1-[4-chloro-3-[(1-phenylcyclopropyl)methylamino]phenyl]ethanone
CID 82535485
N-(4-acetylphenyl)-3-(2,5-dichloroanilino)propanamide
CID 109041021
5-(5-bromo-2-chloroanilino)pentan-1-ol
CID 62914130
4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide
CID 116503809
1-[4-(2-hydroxyethylamino)-3-nitrophenyl]ethanone
CID 35749187
N-(5-acetyl-2-chlorophenyl)-2,4,5-trichlorobenzenesulfonamide
CID 2742129
4-acetyl-1-chloro-2-(dimethylsulfamoylamino)benzene
CID 18615256

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone?
The IUPAC name of 1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone (CID 82535645) is 1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone is CC(=O)c1ccc(Cl)c(NCCCO)c1.
What is the InChIKey of 1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone?
The InChIKey is HFBMHBQWLPRUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8(15)9-3-4-10(12)11(7-9)13-5-2-6-14/h3-4,7,13-14H,2,5-6H2,1H3.
What are the key properties of 1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone?
1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone has a molecular weight of 227.69 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone is sourced from PubChem (CID 82535645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).