3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one

C16H16ClNO — CID 888550

IUPAC3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one
SMILESCc1ccc(NCCC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C16H16ClNO/c1-12-7-8-14(11-15(12)17)18-10-9-16(19)13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3
InChIKeyIWUBWLQDDCVOEF-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.33
Rot. Bonds5

About 3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one

3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one (PubChem CID 888550) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one
PubChem CID888550
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one
SMILESCc1ccc(NCCC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C16H16ClNO/c1-12-7-8-14(11-15(12)17)18-10-9-16(19)13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3
InChIKeyIWUBWLQDDCVOEF-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66593
2-(Methylamino)-5-chlorobenzophenone
CID 13925
N-(3-Chlorophenyl)benzamide
CID 95833
N-(4-Chlorophenyl)-3-oxo-3-phenylpropanamide
CID 570768
Benzophenone, 2',5-dichloro-2-methylamino-
CID 21833
1-(4-Chlorophenyl)-3-(3,4-dimethylanilino)-1-propanone
CID 888422
1-(4-Chlorophenyl)-3-(4-ethylanilino)-1-propanone
CID 2060430
7-Chloro-2-methylquinolin-4-ol
CID 761550
2-chloro-N-(3-chlorophenyl)benzamide
CID 347063
2-(3-Chloro-4-methylanilino)-4-oxo-4-phenylbutanoic acid
CID 3828962
(E)-1-(4-chlorophenyl)-3-(3-methylanilino)prop-2-en-1-one
CID 1896997
7-Chloro-2-phenylquinolin-4-ol
CID 371056

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one?
The IUPAC name of 3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one (CID 888550) is 3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one?
The canonical SMILES for 3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one is Cc1ccc(NCCC(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one?
The InChIKey is IWUBWLQDDCVOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12-7-8-14(11-15(12)17)18-10-9-16(19)13-5-3-2-4-6-13/h2-8,11,18H,9-10H2,1H3.
What are the key properties of 3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one?
3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one has a molecular weight of 273.76 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylanilino)-1-phenylpropan-1-one is sourced from PubChem (CID 888550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).