[3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone

C19H13Cl2NO — CID 14243390

IUPAC[3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Nc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C19H13Cl2NO/c20-15-8-4-5-9-17(15)22-18-11-10-14(12-16(18)21)19(23)13-6-2-1-3-7-13/h1-12,22H
InChIKeyUAWPRUKDGPJZNR-UHFFFAOYSA-N
MW342.23 g/mol
LogP5.97
Rot. Bonds4

About [3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone

[3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone (PubChem CID 14243390) has the molecular formula C19H13Cl2NO and a molecular weight of 342.23 g/mol. Its IUPAC name is [3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone
PubChem CID14243390
Molecular FormulaC19H13Cl2NO
Molecular Weight342.23 g/mol
Exact Mass341.04
IUPAC Name[3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Nc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C19H13Cl2NO/c20-15-8-4-5-9-17(15)22-18-11-10-14(12-16(18)21)19(23)13-6-2-1-3-7-13/h1-12,22H
InChIKeyUAWPRUKDGPJZNR-UHFFFAOYSA-N
XLogP5.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.23
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-anilino-3-chlorophenyl)-phenylmethanone
CID 14243389
4-(2-chloroanilino)-3-fluorobenzoic acid
CID 82304224
3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one
CID 146590916
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
N-(5-benzoyl-2-chlorophenyl)-3-oxobutanamide
CID 154130409
[4-(2-aminoanilino)-3-(dimethylamino)phenyl]-phenylmethanone
CID 174393841
(3-benzoyl-4-chlorophenyl)-(4-chlorophenyl)methanone
CID 18951954
4-chloro-3-(2-hydroxyanilino)benzoic acid
CID 82537358
diphenylmethanone
CID 3102
3-chloro-2-(2-chloroanilino)benzoic acid
CID 615153
1-[4-(2-chloroanilino)phenyl]-3-phenylurea
CID 112986938
[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
CID 142305551

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone?
The IUPAC name of [3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone (CID 14243390) is [3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone.
What is the SMILES notation for [3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone?
The canonical SMILES for [3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(Nc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone?
The InChIKey is UAWPRUKDGPJZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2NO/c20-15-8-4-5-9-17(15)22-18-11-10-14(12-16(18)21)19(23)13-6-2-1-3-7-13/h1-12,22H.
What are the key properties of [3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone?
[3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone has a molecular weight of 342.23 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone is sourced from PubChem (CID 14243390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).