3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide

C14H12BrClN2O — CID 61401723

IUPAC3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide
SMILESNc1cc(C(=O)NCc2ccccc2Br)ccc1Cl
InChIInChI=1S/C14H12BrClN2O/c15-11-4-2-1-3-10(11)8-18-14(19)9-5-6-12(16)13(17)7-9/h1-7H,8,17H2,(H,18,19)
InChIKeyMMHXNQNOQFCLOI-UHFFFAOYSA-N
MW339.62 g/mol
LogP3.61
Rot. Bonds3

About 3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide

3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide (PubChem CID 61401723) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide.

Molecular Properties

Compound Name3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide
PubChem CID61401723
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide
SMILESNc1cc(C(=O)NCc2ccccc2Br)ccc1Cl
InChIInChI=1S/C14H12BrClN2O/c15-11-4-2-1-3-10(11)8-18-14(19)9-5-6-12(16)13(17)7-9/h1-7H,8,17H2,(H,18,19)
InChIKeyMMHXNQNOQFCLOI-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 53.61
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

3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
CID 61401758
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
CID 61401694
N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107997588
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
4-bromo-N-[(2-chlorophenyl)methyl]-3-hydroxybenzamide
CID 103830389
3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
CID 115161179
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211705
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134
4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450
3-amino-N-(2-bromo-6-fluorophenyl)-4-chlorobenzamide
CID 107596191
2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349351

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide?
The IUPAC name of 3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide (CID 61401723) is 3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide.
What is the SMILES notation for 3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide?
The canonical SMILES for 3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide is Nc1cc(C(=O)NCc2ccccc2Br)ccc1Cl.
What is the InChIKey of 3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide?
The InChIKey is MMHXNQNOQFCLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c15-11-4-2-1-3-10(11)8-18-14(19)9-5-6-12(16)13(17)7-9/h1-7H,8,17H2,(H,18,19).
What are the key properties of 3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide?
3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide has a molecular weight of 339.62 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide is sourced from PubChem (CID 61401723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).