3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid

C14H9Br2Cl2NO3 — CID 161088478

IUPAC3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid
SMILESNC(=O)c1ccc(Cl)c(Br)c1.O=C(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H5BrClNO.C7H4BrClO2/c2*8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11);1-3H,(H,10,11)
InChIKeyUGVRGFMNFGYCHO-UHFFFAOYSA-N
MW469.94 g/mol
LogP5.00
Rot. Bonds2

About 3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid

3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid (PubChem CID 161088478) has the molecular formula C14H9Br2Cl2NO3 and a molecular weight of 469.94 g/mol. Its IUPAC name is 3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid.

Molecular Properties

Compound Name3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid
PubChem CID161088478
Molecular FormulaC14H9Br2Cl2NO3
Molecular Weight469.94 g/mol
Exact Mass466.83
IUPAC Name3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid
SMILESNC(=O)c1ccc(Cl)c(Br)c1.O=C(O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C7H5BrClNO.C7H4BrClO2/c2*8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11);1-3H,(H,10,11)
InChIKeyUGVRGFMNFGYCHO-UHFFFAOYSA-N
XLogP5.00
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.94
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-3-nitrobenzamide;4-chloro-3-nitrobenzoic acid
CID 162263157
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
3-bromo-4-(3,4-dichlorophenyl)sulfanylbenzoic acid
CID 82802076
8-carbamoylbenzo[c][1,2,5,6]benzotetraoxocine-2-carboxylic acid
CID 163538336
3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
CID 115565457
3-carbamoylbenzoic acid
CID 3014284
(3-bromo-4-chlorophenyl)-(2,4,6-trichlorophenyl)methanone
CID 107998426
(3-bromo-4-chlorophenyl)-(4-tert-butylphenyl)methanone
CID 115565891
4-chloro-3-fluorobenzamide;hydrochloride
CID 157022559
3-chloro-4-methylbenzamide;ethane
CID 162191867
4-(3-bromo-4-chlorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 83230903
[2-(3-bromo-4-chlorophenyl)-2-oxoethyl]carbamic acid
CID 126618585

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid?
The IUPAC name of 3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid (CID 161088478) is 3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid.
What is the SMILES notation for 3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid?
The canonical SMILES for 3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid is NC(=O)c1ccc(Cl)c(Br)c1.O=C(O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid?
The InChIKey is UGVRGFMNFGYCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO.C7H4BrClO2/c2*8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H2,10,11);1-3H,(H,10,11).
What are the key properties of 3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid?
3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid has a molecular weight of 469.94 g/mol, XLogP of 5.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chlorobenzamide;3-bromo-4-chlorobenzoic acid is sourced from PubChem (CID 161088478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).