1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one

C15H14ClNO — CID 64914807

IUPAC1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one
SMILESNc1cc(Cl)ccc1C(=O)CCc1ccccc1
InChIInChI=1S/C15H14ClNO/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,17H2
InChIKeySFEVKOKMNNDKHH-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.74
Rot. Bonds4

About 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one

1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one (PubChem CID 64914807) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one
PubChem CID64914807
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one
SMILESNc1cc(Cl)ccc1C(=O)CCc1ccccc1
InChIInChI=1S/C15H14ClNO/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,17H2
InChIKeySFEVKOKMNNDKHH-UHFFFAOYSA-N
XLogP3.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.74
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

1-(2-amino-4-chlorophenyl)-4,4-dimethylpentan-1-one
CID 64915000
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-1-one
CID 24726100
1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one
CID 143240107
1-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-one
CID 24726092
1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
CID 116604350
1-(5-chloro-2-methylphenyl)-4-phenylbutan-1-one
CID 114969894
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
1-(2-amino-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 64915581
1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
CID 116547242
1-(2-amino-4-chlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 105405269
5-chloro-2-(3-phenylpropanoyloxy)benzoic acid
CID 54854781
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one (CID 64914807) is 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one is Nc1cc(Cl)ccc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one?
The InChIKey is SFEVKOKMNNDKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c16-12-7-8-13(14(17)10-12)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9,17H2.
What are the key properties of 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one?
1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one has a molecular weight of 259.74 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 64914807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).