3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine

C14H12Br2Cl2N2O — CID 158546164

IUPAC3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine
SMILESNC(=O)c1cc(Cl)cc(Br)c1.NCc1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H5BrClNO.C7H7BrClN/c8-5-1-4(7(10)11)2-6(9)3-5;8-6-1-5(4-10)2-7(9)3-6/h1-3H,(H2,10,11);1-3H,4,10H2
InChIKeyHPDFVDSDFFTCLX-UHFFFAOYSA-N
MW454.98 g/mol
LogP4.76
Rot. Bonds2

About 3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine

3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine (PubChem CID 158546164) has the molecular formula C14H12Br2Cl2N2O and a molecular weight of 454.98 g/mol. Its IUPAC name is 3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine.

Molecular Properties

Compound Name3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine
PubChem CID158546164
Molecular FormulaC14H12Br2Cl2N2O
Molecular Weight454.98 g/mol
Exact Mass451.87
IUPAC Name3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine
SMILESNC(=O)c1cc(Cl)cc(Br)c1.NCc1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H5BrClNO.C7H7BrClN/c8-5-1-4(7(10)11)2-6(9)3-5;8-6-1-5(4-10)2-7(9)3-6/h1-3H,(H2,10,11);1-3H,4,10H2
InChIKeyHPDFVDSDFFTCLX-UHFFFAOYSA-N
XLogP4.76
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chlorobenzamide
CID 53417471
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
3-bromo-5-chlorobenzoyl chloride
CID 50998129
N-[[4-(2-aminoethyl)phenyl]methyl]-3-bromo-5-chlorobenzamide
CID 107939840
3-(3-bromo-5-chlorophenyl)-3-oxopropanenitrile
CID 98041795
1-(3-bromo-5-chlorophenyl)-2-methylpropan-1-one
CID 103942633
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781
3,5-dichlorobenzohydrazide
CID 2735966
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-bromo-5-chloro-N-phenylmethoxybenzamide
CID 103826514
N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
CID 114018521
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-bromo-5-chloro-N-methylbenzamide
CID 107940523

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine?
The IUPAC name of 3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine (CID 158546164) is 3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine.
What is the SMILES notation for 3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine?
The canonical SMILES for 3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine is NC(=O)c1cc(Cl)cc(Br)c1.NCc1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine?
The InChIKey is HPDFVDSDFFTCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO.C7H7BrClN/c8-5-1-4(7(10)11)2-6(9)3-5;8-6-1-5(4-10)2-7(9)3-6/h1-3H,(H2,10,11);1-3H,4,10H2.
What are the key properties of 3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine?
3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine has a molecular weight of 454.98 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chlorobenzamide;(3-bromo-5-chlorophenyl)methanamine is sourced from PubChem (CID 158546164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).