1-(3-chloroanilino)propan-2-one

C9H10ClNO — CID 21364413

IUPAC1-(3-chloroanilino)propan-2-one
SMILESCC(=O)CNc1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO/c1-7(12)6-11-9-4-2-3-8(10)5-9/h2-5,11H,6H2,1H3
InChIKeyOYDDYULPWDMTQW-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.34
Rot. Bonds3

About 1-(3-chloroanilino)propan-2-one

1-(3-chloroanilino)propan-2-one (PubChem CID 21364413) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-(3-chloroanilino)propan-2-one.

Molecular Properties

Compound Name1-(3-chloroanilino)propan-2-one
PubChem CID21364413
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-(3-chloroanilino)propan-2-one
SMILESCC(=O)CNc1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO/c1-7(12)6-11-9-4-2-3-8(10)5-9/h2-5,11H,6H2,1H3
InChIKeyOYDDYULPWDMTQW-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
1-[3-(2-hydroxyethyl)anilino]propan-2-one
CID 174381535
1-(aziridin-1-yl)-2-(3-chloroanilino)ethanone
CID 131042783
2-(3-chloroanilino)-N,N-dipropylacetamide
CID 39367463
propyl 2-(3-chloroanilino)acetate
CID 60835010
3-chloro-N-(2-methylidenebutyl)aniline
CID 66044968
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
2-(3-chloroanilino)-N-methyl-N-phenylacetamide
CID 39373771
2-(3-chloroanilino)ethanethioamide
CID 82076448
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroanilino)propan-2-one?
The IUPAC name of 1-(3-chloroanilino)propan-2-one (CID 21364413) is 1-(3-chloroanilino)propan-2-one.
What is the SMILES notation for 1-(3-chloroanilino)propan-2-one?
The canonical SMILES for 1-(3-chloroanilino)propan-2-one is CC(=O)CNc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chloroanilino)propan-2-one?
The InChIKey is OYDDYULPWDMTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-7(12)6-11-9-4-2-3-8(10)5-9/h2-5,11H,6H2,1H3.
What are the key properties of 1-(3-chloroanilino)propan-2-one?
1-(3-chloroanilino)propan-2-one has a molecular weight of 183.64 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroanilino)propan-2-one is sourced from PubChem (CID 21364413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).