5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid

C14H10Cl2N2O3 — CID 62945822

IUPAC5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
SMILESNC(=O)c1ccc(Nc2ccc(Cl)c(C(=O)O)c2)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-11-4-2-7(5-10(11)14(20)21)18-8-1-3-9(13(17)19)12(16)6-8/h1-6,18H,(H2,17,19)(H,20,21)
InChIKeyCMKLAKWLIVOWIP-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.53
Rot. Bonds4

About 5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid

5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid (PubChem CID 62945822) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
PubChem CID62945822
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
SMILESNC(=O)c1ccc(Nc2ccc(Cl)c(C(=O)O)c2)cc1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-11-4-2-7(5-10(11)14(20)21)18-8-1-3-9(13(17)19)12(16)6-8/h1-6,18H,(H2,17,19)(H,20,21)
InChIKeyCMKLAKWLIVOWIP-UHFFFAOYSA-N
XLogP3.53
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4-carbamoylanilino)-2-chlorobenzoic acid
CID 107275398
4-(5-amino-2-chloroanilino)-2-chlorobenzamide
CID 62944720
5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid
CID 114890010
2-chloro-5-(4-sulfamoylanilino)benzoic acid
CID 60860550
5-(4-carbamoyl-3-methylanilino)-2-methylbenzoic acid
CID 81269584
2-(4-carbamoyl-3-chloroanilino)-2-methylpropanoic acid
CID 55153736
2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid
CID 63499316
2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid
CID 61454806
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
CID 53228066
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide
CID 63120956
2-chloro-4-(methanethioylamino)benzoic acid
CID 177332545

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid?
The IUPAC name of 5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid (CID 62945822) is 5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid.
What is the SMILES notation for 5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid?
The canonical SMILES for 5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid is NC(=O)c1ccc(Nc2ccc(Cl)c(C(=O)O)c2)cc1Cl.
What is the InChIKey of 5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid?
The InChIKey is CMKLAKWLIVOWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-11-4-2-7(5-10(11)14(20)21)18-8-1-3-9(13(17)19)12(16)6-8/h1-6,18H,(H2,17,19)(H,20,21).
What are the key properties of 5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid?
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid has a molecular weight of 325.15 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid is sourced from PubChem (CID 62945822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).