2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid

C14H11BrClNO2 — CID 62711304

IUPAC2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid
SMILESO=C(O)c1c(Cl)cccc1NCc1ccc(Br)cc1
InChIInChI=1S/C14H11BrClNO2/c15-10-6-4-9(5-7-10)8-17-12-3-1-2-11(16)13(12)14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyBYXGLQIVJJSWLS-UHFFFAOYSA-N
MW340.60 g/mol
LogP4.41
Rot. Bonds4

About 2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid

2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid (PubChem CID 62711304) has the molecular formula C14H11BrClNO2 and a molecular weight of 340.60 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid
PubChem CID62711304
Molecular FormulaC14H11BrClNO2
Molecular Weight340.60 g/mol
Exact Mass338.97
IUPAC Name2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid
SMILESO=C(O)c1c(Cl)cccc1NCc1ccc(Br)cc1
InChIInChI=1S/C14H11BrClNO2/c15-10-6-4-9(5-7-10)8-17-12-3-1-2-11(16)13(12)14(18)19/h1-7,17H,8H2,(H,18,19)
InChIKeyBYXGLQIVJJSWLS-UHFFFAOYSA-N
XLogP4.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.60
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[(4-fluorophenyl)methylamino]benzoic acid
CID 62710779
4-[(2-bromo-3-chloroanilino)methyl]benzoic acid
CID 103478689
2-[[4-(aminomethyl)phenyl]methylamino]-6-chlorobenzamide
CID 81089935
2-chloro-6-[(2-ethylphenyl)methylamino]benzoic acid
CID 64694791
2-chloro-6-(1,3-thiazol-4-ylmethylamino)benzoic acid
CID 63825805
N-benzyl-2-bromo-3-chloroaniline
CID 103477865
2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 63724266
2-[4-[(2-bromo-3-chloroanilino)methyl]phenyl]propanoic acid
CID 103480482
2-chloro-6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114181032
2-chloro-6-(cyclopentylmethylamino)benzoic acid
CID 62710285
2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid
CID 79522270
2-chloro-6-[(4-methylphenyl)methylamino]benzenecarbothioamide
CID 62500937

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid?
The IUPAC name of 2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid (CID 62711304) is 2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid.
What is the SMILES notation for 2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid?
The canonical SMILES for 2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid is O=C(O)c1c(Cl)cccc1NCc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid?
The InChIKey is BYXGLQIVJJSWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO2/c15-10-6-4-9(5-7-10)8-17-12-3-1-2-11(16)13(12)14(18)19/h1-7,17H,8H2,(H,18,19).
What are the key properties of 2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid?
2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid has a molecular weight of 340.60 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylamino]-6-chlorobenzoic acid is sourced from PubChem (CID 62711304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).