[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone

C20H15BrClNO — CID 10201018

IUPAC[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C20H15BrClNO/c1-13-4-2-3-5-17(13)20(24)18-11-10-16(12-19(18)22)23-15-8-6-14(21)7-9-15/h2-12,23H,1H3
InChIKeyNHDUNYNBPYSAGE-UHFFFAOYSA-N
MW400.70 g/mol
LogP6.39
Rot. Bonds4

About [4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone

[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone (PubChem CID 10201018) has the molecular formula C20H15BrClNO and a molecular weight of 400.70 g/mol. Its IUPAC name is [4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
PubChem CID10201018
Molecular FormulaC20H15BrClNO
Molecular Weight400.70 g/mol
Exact Mass399.00
IUPAC Name[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C20H15BrClNO/c1-13-4-2-3-5-17(13)20(24)18-11-10-16(12-19(18)22)23-15-8-6-14(21)7-9-15/h2-12,23H,1H3
InChIKeyNHDUNYNBPYSAGE-UHFFFAOYSA-N
XLogP6.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.70
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 22480519
[2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone
CID 10111445
[2-chloro-4-(3-nitroanilino)phenyl]-(2-methylphenyl)methanone
CID 11349130
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174560
ethyl 2-[3-chloro-4-(2-methylbenzoyl)anilino]benzoate
CID 10178711
2-[(E)-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]prop-2-enyl]propanedioic acid
CID 22174552
[4-[4-bromo-2-(2-hydroxyethoxymethyl)anilino]-2-chlorophenyl]-(2-methylphenyl)methanone;[2-chloro-4-[2-(2-hydroxyethoxymethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 158598925
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
1-tert-butyl-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]urea
CID 12992830
(5-bromo-2-methylphenyl)-(2-chlorophenyl)methanone
CID 114963344
N'-[5-bromo-2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]-N-(6-hydroxyhexyl)butanediamide
CID 22174482
[2-chloro-4-[2-[2-(2-hydroxyethoxy)ethoxymethyl]anilino]phenyl]-(2-methylphenyl)methanone
CID 10203602

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone (CID 10201018) is [4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of [4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone?
The InChIKey is NHDUNYNBPYSAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClNO/c1-13-4-2-3-5-17(13)20(24)18-11-10-16(12-19(18)22)23-15-8-6-14(21)7-9-15/h2-12,23H,1H3.
What are the key properties of [4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone?
[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone has a molecular weight of 400.70 g/mol, XLogP of 6.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone is sourced from PubChem (CID 10201018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).