2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid

C14H8BrCl2NO3 — CID 107047863

IUPAC2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid
SMILESO=C(Nc1c(Cl)ccc(Cl)c1C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C14H8BrCl2NO3/c15-8-3-1-7(2-4-8)13(19)18-12-10(17)6-5-9(16)11(12)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyZQDIONWFSYWFFU-UHFFFAOYSA-N
MW389.03 g/mol
LogP4.71
Rot. Bonds3

About 2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid

2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid (PubChem CID 107047863) has the molecular formula C14H8BrCl2NO3 and a molecular weight of 389.03 g/mol. Its IUPAC name is 2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid.

Molecular Properties

Compound Name2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid
PubChem CID107047863
Molecular FormulaC14H8BrCl2NO3
Molecular Weight389.03 g/mol
Exact Mass386.91
IUPAC Name2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid
SMILESO=C(Nc1c(Cl)ccc(Cl)c1C(=O)O)c1ccc(Br)cc1
InChIInChI=1S/C14H8BrCl2NO3/c15-8-3-1-7(2-4-8)13(19)18-12-10(17)6-5-9(16)11(12)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKeyZQDIONWFSYWFFU-UHFFFAOYSA-N
XLogP4.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.03
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromopyridine-2-carbonyl)amino]-3,6-dichlorobenzoic acid
CID 107048547
3,6-dichloro-2-[(5-methylpyridine-3-carbonyl)amino]benzoic acid
CID 107048071
3,6-dichloro-2-[(3-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 107048425
3-bromo-4-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107999237
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
3,6-dichloro-2-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
CID 107048836
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
4-bromo-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64786775
4-bromo-N-(2-chloro-4-iodophenyl)benzamide
CID 47183104
3-bromo-2-[(4-bromobenzoyl)amino]benzoic acid
CID 63112551
N-(2-bromo-6-chlorophenyl)benzamide
CID 13226852

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid?
The IUPAC name of 2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid (CID 107047863) is 2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid.
What is the SMILES notation for 2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid?
The canonical SMILES for 2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid is O=C(Nc1c(Cl)ccc(Cl)c1C(=O)O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid?
The InChIKey is ZQDIONWFSYWFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2NO3/c15-8-3-1-7(2-4-8)13(19)18-12-10(17)6-5-9(16)11(12)14(20)21/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid?
2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid has a molecular weight of 389.03 g/mol, XLogP of 4.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromobenzoyl)amino]-3,6-dichlorobenzoic acid is sourced from PubChem (CID 107047863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).