3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one

C22H20ClNO2 — CID 12996503

IUPAC3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(CC(=O)c2ccc(Cl)cc2)Nc2ccccc2)cc1
InChIInChI=1S/C22H20ClNO2/c1-26-20-13-9-16(10-14-20)21(24-19-5-3-2-4-6-19)15-22(25)17-7-11-18(23)12-8-17/h2-14,21,24H,15H2,1H3
InChIKeyFORFDGXRYXNDSZ-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.77
Rot. Bonds7

About 3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one

3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 12996503) has the molecular formula C22H20ClNO2 and a molecular weight of 365.86 g/mol. Its IUPAC name is 3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID12996503
Molecular FormulaC22H20ClNO2
Molecular Weight365.86 g/mol
Exact Mass365.12
IUPAC Name3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(CC(=O)c2ccc(Cl)cc2)Nc2ccccc2)cc1
InChIInChI=1S/C22H20ClNO2/c1-26-20-13-9-16(10-14-20)21(24-19-5-3-2-4-6-19)15-22(25)17-7-11-18(23)12-8-17/h2-14,21,24H,15H2,1H3
InChIKeyFORFDGXRYXNDSZ-UHFFFAOYSA-N
XLogP5.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-chlorophenyl)-3-(4-iodoanilino)-1-(4-methoxyphenyl)propan-1-one
CID 2222888
(3S)-3-(4-chlorophenyl)-3-(4-iodoanilino)-1-(4-methoxyphenyl)propan-1-one
CID 2222887
(3S)-1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-methoxyphenyl)propan-1-one
CID 100817165
(3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 7290250
3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 132592185
3-anilino-3-(4-methoxyphenyl)-1-(4-nitrophenyl)propan-1-one
CID 2947002
(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 704697
1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one
CID 132592454
(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 100816884
(3S)-1-(4-bromophenyl)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propan-1-one
CID 94844105
(3S)-3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 100817110
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one (CID 12996503) is 3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(C(CC(=O)c2ccc(Cl)cc2)Nc2ccccc2)cc1.
What is the InChIKey of 3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is FORFDGXRYXNDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO2/c1-26-20-13-9-16(10-14-20)21(24-19-5-3-2-4-6-19)15-22(25)17-7-11-18(23)12-8-17/h2-14,21,24H,15H2,1H3.
What are the key properties of 3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one?
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 365.86 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 12996503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).