3-[(2-bromo-4-chloroanilino)methyl]benzamide

C14H12BrClN2O — CID 80979619

IUPAC3-[(2-bromo-4-chloroanilino)methyl]benzamide
SMILESNC(=O)c1cccc(CNc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C14H12BrClN2O/c15-12-7-11(16)4-5-13(12)18-8-9-2-1-3-10(6-9)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyRVZZEMWGSPCUTD-UHFFFAOYSA-N
MW339.62 g/mol
LogP3.81
Rot. Bonds4

About 3-[(2-bromo-4-chloroanilino)methyl]benzamide

3-[(2-bromo-4-chloroanilino)methyl]benzamide (PubChem CID 80979619) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 3-[(2-bromo-4-chloroanilino)methyl]benzamide.

Molecular Properties

Compound Name3-[(2-bromo-4-chloroanilino)methyl]benzamide
PubChem CID80979619
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name3-[(2-bromo-4-chloroanilino)methyl]benzamide
SMILESNC(=O)c1cccc(CNc2ccc(Cl)cc2Br)c1
InChIInChI=1S/C14H12BrClN2O/c15-12-7-11(16)4-5-13(12)18-8-9-2-1-3-10(6-9)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyRVZZEMWGSPCUTD-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chloro-2-iodoanilino)methyl]benzamide
CID 103764653
3-[(2-bromo-4-cyanoanilino)methyl]benzamide
CID 63276987
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
2-[(3-aminophenyl)methylamino]-5-chlorobenzamide
CID 62500264
3-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440
2-bromo-N-[(3-carbamothioylphenyl)methyl]-4-chlorobenzamide
CID 107987788
3-[(2-bromo-4-methylanilino)methyl]benzoic acid
CID 103231664
3-[(4-chloro-3-fluoroanilino)methyl]benzamide
CID 61467366
3-[(3-bromo-4-methylanilino)methyl]benzamide
CID 55201932
2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline
CID 81262877
N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide
CID 81264226
3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide
CID 83077384

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-chloroanilino)methyl]benzamide?
The IUPAC name of 3-[(2-bromo-4-chloroanilino)methyl]benzamide (CID 80979619) is 3-[(2-bromo-4-chloroanilino)methyl]benzamide.
What is the SMILES notation for 3-[(2-bromo-4-chloroanilino)methyl]benzamide?
The canonical SMILES for 3-[(2-bromo-4-chloroanilino)methyl]benzamide is NC(=O)c1cccc(CNc2ccc(Cl)cc2Br)c1.
What is the InChIKey of 3-[(2-bromo-4-chloroanilino)methyl]benzamide?
The InChIKey is RVZZEMWGSPCUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c15-12-7-11(16)4-5-13(12)18-8-9-2-1-3-10(6-9)14(17)19/h1-7,18H,8H2,(H2,17,19).
What are the key properties of 3-[(2-bromo-4-chloroanilino)methyl]benzamide?
3-[(2-bromo-4-chloroanilino)methyl]benzamide has a molecular weight of 339.62 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-chloroanilino)methyl]benzamide is sourced from PubChem (CID 80979619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).