2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide

C14H12BrClN2O — CID 79714993

IUPAC2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
SMILESNc1cc(Br)ccc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClN2O/c15-10-3-6-12(13(17)7-10)14(19)18-8-9-1-4-11(16)5-2-9/h1-7H,8,17H2,(H,18,19)
InChIKeyMWTMNBBAEKNTHR-UHFFFAOYSA-N
MW339.62 g/mol
LogP3.61
Rot. Bonds3

About 2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide

2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide (PubChem CID 79714993) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
PubChem CID79714993
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
SMILESNc1cc(Br)ccc1C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClN2O/c15-10-3-6-12(13(17)7-10)14(19)18-8-9-1-4-11(16)5-2-9/h1-7H,8,17H2,(H,18,19)
InChIKeyMWTMNBBAEKNTHR-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

2-amino-N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 62073957
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
2-amino-4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 79714917
2-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzamide
CID 106899083
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019
2-amino-N-[(4-chlorophenyl)methyl]-4-nitrobenzamide
CID 67362358
2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 79721449
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
2-amino-4-bromo-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 79723749
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide?
The IUPAC name of 2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide (CID 79714993) is 2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide?
The canonical SMILES for 2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide is Nc1cc(Br)ccc1C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide?
The InChIKey is MWTMNBBAEKNTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c15-10-3-6-12(13(17)7-10)14(19)18-8-9-1-4-11(16)5-2-9/h1-7H,8,17H2,(H,18,19).
What are the key properties of 2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide?
2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide 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 2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 79714993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).