[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone

C20H16BrClN2O — CID 22480519

IUPAC[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(Nc2cc(Br)ccc2N)cc1Cl
InChIInChI=1S/C20H16BrClN2O/c1-12-4-2-3-5-15(12)20(25)16-8-7-14(11-17(16)22)24-19-10-13(21)6-9-18(19)23/h2-11,24H,23H2,1H3
InChIKeyZMFIGSGRLLSBKE-UHFFFAOYSA-N
MW415.72 g/mol
LogP5.97
Rot. Bonds4

About [4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone

[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone (PubChem CID 22480519) has the molecular formula C20H16BrClN2O and a molecular weight of 415.72 g/mol. Its IUPAC name is [4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
PubChem CID22480519
Molecular FormulaC20H16BrClN2O
Molecular Weight415.72 g/mol
Exact Mass414.01
IUPAC Name[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(Nc2cc(Br)ccc2N)cc1Cl
InChIInChI=1S/C20H16BrClN2O/c1-12-4-2-3-5-15(12)20(25)16-8-7-14(11-17(16)22)24-19-10-13(21)6-9-18(19)23/h2-11,24H,23H2,1H3
InChIKeyZMFIGSGRLLSBKE-UHFFFAOYSA-N
XLogP5.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.72
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 10201018
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174560
ethyl 2-[3-chloro-4-(2-methylbenzoyl)anilino]benzoate
CID 10178711
[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
N'-[5-bromo-2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]-N-(6-hydroxyhexyl)butanediamide
CID 22174482
[4-[4-bromo-2-(2-hydroxyethyl)anilino]-2-methylphenyl]-(2-chlorophenyl)methanone
CID 142756486
[2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone
CID 10111445
1-tert-butyl-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]urea
CID 12992830
[4-(2-amino-4-bromoanilino)-2-chlorophenyl]-(2-methyl-4-prop-2-enoxyphenyl)methanone
CID 58677525
[2-chloro-4-(3-nitroanilino)phenyl]-(2-methylphenyl)methanone
CID 11349130
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
2-[(E)-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]prop-2-enyl]propanedioic acid
CID 22174552

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone (CID 22480519) is [4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccc(Nc2cc(Br)ccc2N)cc1Cl.
What is the InChIKey of [4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone?
The InChIKey is ZMFIGSGRLLSBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrClN2O/c1-12-4-2-3-5-15(12)20(25)16-8-7-14(11-17(16)22)24-19-10-13(21)6-9-18(19)23/h2-11,24H,23H2,1H3.
What are the key properties of [4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone?
[4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone has a molecular weight of 415.72 g/mol, XLogP of 5.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-5-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone is sourced from PubChem (CID 22480519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).