[3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone

C20H16ClNO — CID 162398162

IUPAC[3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone
SMILESCN(c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H16ClNO/c1-22(17-10-6-3-7-11-17)19-13-12-16(14-18(19)21)20(23)15-8-4-2-5-9-15/h2-14H,1H3
InChIKeySKYQYZXNADEVGP-UHFFFAOYSA-N
MW321.81 g/mol
LogP5.34
Rot. Bonds4

About [3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone

[3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone (PubChem CID 162398162) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is [3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone
PubChem CID162398162
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name[3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone
SMILESCN(c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C20H16ClNO/c1-22(17-10-6-3-7-11-17)19-13-12-16(14-18(19)21)20(23)15-8-4-2-5-9-15/h2-14H,1H3
InChIKeySKYQYZXNADEVGP-UHFFFAOYSA-N
XLogP5.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.81
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-N-methylanilino)benzoic acid
CID 117029299
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
1-[3-chloro-4-(2-fluoro-N-methylanilino)phenyl]ethanone
CID 62909843
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
[3-(dimethylamino)-4-methylphenyl]-phenylmethanone;ethane
CID 91033901
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
2-(4-carbamoyl-2-chloro-N-methylanilino)-2-methylpropanoic acid
CID 55182543

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone?
The IUPAC name of [3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone (CID 162398162) is [3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone.
What is the SMILES notation for [3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone?
The canonical SMILES for [3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone is CN(c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1Cl.
What is the InChIKey of [3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone?
The InChIKey is SKYQYZXNADEVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c1-22(17-10-6-3-7-11-17)19-13-12-16(14-18(19)21)20(23)15-8-4-2-5-9-15/h2-14H,1H3.
What are the key properties of [3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone?
[3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone has a molecular weight of 321.81 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(N-methylanilino)phenyl]-phenylmethanone is sourced from PubChem (CID 162398162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).