N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide

C14H12BrClN2O — CID 63194298

IUPACN-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1Cl
InChIInChI=1S/C14H12BrClN2O/c1-8-2-3-9(6-12(8)16)14(19)18-13-5-4-10(17)7-11(13)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyXBVRJERWTYKDQF-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.25
Rot. Bonds2

About N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide

N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide (PubChem CID 63194298) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide
PubChem CID63194298
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1Cl
InChIInChI=1S/C14H12BrClN2O/c1-8-2-3-9(6-12(8)16)14(19)18-13-5-4-10(17)7-11(13)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyXBVRJERWTYKDQF-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-3-bromo-4-methylbenzamide
CID 81470767
N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide
CID 81290329
N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide
CID 63194249
N-(4-amino-2-bromophenyl)-3,5-dichloro-4-methoxybenzamide
CID 100829828
N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide
CID 43549544
N-(4-amino-2-bromophenyl)-5-methylfuran-3-carboxamide
CID 114818644
3-amino-N-(2,4-dibromophenyl)-4-methylbenzamide
CID 43702662
3-bromo-N-(2,4-dichlorophenyl)-4-methylbenzamide
CID 1297695
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725697

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide (CID 63194298) is N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1Cl.
What is the InChIKey of N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide?
The InChIKey is XBVRJERWTYKDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-2-3-9(6-12(8)16)14(19)18-13-5-4-10(17)7-11(13)15/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide?
N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide has a molecular weight of 339.62 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide is sourced from PubChem (CID 63194298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).