5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid

C14H10BrClN2O3 — CID 114890010

IUPAC5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid
SMILESNC(=O)c1cc(Br)ccc1Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C14H10BrClN2O3/c15-7-1-4-12(10(5-7)13(17)19)18-8-2-3-11(16)9(6-8)14(20)21/h1-6,18H,(H2,17,19)(H,20,21)
InChIKeyGLNFGDSDIMMVFC-UHFFFAOYSA-N
MW369.60 g/mol
LogP3.64
Rot. Bonds4

About 5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid

5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid (PubChem CID 114890010) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid
PubChem CID114890010
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC Name5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid
SMILESNC(=O)c1cc(Br)ccc1Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C14H10BrClN2O3/c15-7-1-4-12(10(5-7)13(17)19)18-8-2-3-11(16)9(6-8)14(20)21/h1-6,18H,(H2,17,19)(H,20,21)
InChIKeyGLNFGDSDIMMVFC-UHFFFAOYSA-N
XLogP3.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-2-carbamoylanilino)benzoic acid
CID 114889981
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
5-chloro-2-(3,4-dichloroanilino)benzamide
CID 141087561
5-amino-2-(4-bromoanilino)benzamide
CID 55125298
5-amino-2-(5-bromo-2-chloroanilino)benzoic acid
CID 55130714
4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid
CID 107275398
2-amino-5-(5-bromo-2-fluoroanilino)benzoic acid
CID 55024972
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
5-bromo-2-(2,4-dibromoanilino)benzoic acid
CID 12925320
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
2-amino-5-(4-bromoanilino)benzoic acid
CID 54887896
2-amino-5-(4-bromoanilino)benzamide
CID 61306724

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid?
The IUPAC name of 5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid (CID 114890010) is 5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid.
What is the SMILES notation for 5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid?
The canonical SMILES for 5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid is NC(=O)c1cc(Br)ccc1Nc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid?
The InChIKey is GLNFGDSDIMMVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c15-7-1-4-12(10(5-7)13(17)19)18-8-2-3-11(16)9(6-8)14(20)21/h1-6,18H,(H2,17,19)(H,20,21).
What are the key properties of 5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid?
5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid has a molecular weight of 369.60 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid is sourced from PubChem (CID 114890010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).