5-(3-carbamoylphenyl)-2-chlorobenzoic acid

C14H10ClNO3 — CID 53226144

IUPAC5-(3-carbamoylphenyl)-2-chlorobenzoic acid
SMILESNC(=O)c1cccc(-c2ccc(Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C14H10ClNO3/c15-12-5-4-9(7-11(12)14(18)19)8-2-1-3-10(6-8)13(16)17/h1-7H,(H2,16,17)(H,18,19)
InChIKeyZHCQQZILXIPWRD-UHFFFAOYSA-N
MW275.69 g/mol
LogP2.80
Rot. Bonds3

About 5-(3-carbamoylphenyl)-2-chlorobenzoic acid

5-(3-carbamoylphenyl)-2-chlorobenzoic acid (PubChem CID 53226144) has the molecular formula C14H10ClNO3 and a molecular weight of 275.69 g/mol. Its IUPAC name is 5-(3-carbamoylphenyl)-2-chlorobenzoic acid.

Molecular Properties

Compound Name5-(3-carbamoylphenyl)-2-chlorobenzoic acid
PubChem CID53226144
Molecular FormulaC14H10ClNO3
Molecular Weight275.69 g/mol
Exact Mass275.03
IUPAC Name5-(3-carbamoylphenyl)-2-chlorobenzoic acid
SMILESNC(=O)c1cccc(-c2ccc(Cl)c(C(=O)O)c2)c1
InChIInChI=1S/C14H10ClNO3/c15-12-5-4-9(7-11(12)14(18)19)8-2-1-3-10(6-8)13(16)17/h1-7H,(H2,16,17)(H,18,19)
InChIKeyZHCQQZILXIPWRD-UHFFFAOYSA-N
XLogP2.80
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227848
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
CID 53228066
3-phenylbenzamide;phosphoric acid
CID 130454344
2-chloro-5-(3-methylphenyl)benzamide
CID 151079507
4-(3-carbamoylphenyl)benzoate
CID 86307207
5-(3-carboxyphenyl)-2-hydroxybenzoic acid
CID 102139788
5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53224202
3-carbamoylbenzoic acid
CID 3014284
2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543
3-(4-chlorophenyl)benzoic acid
CID 2757419
3-(4-chloro-3-cyanophenyl)benzoic acid
CID 53218380
3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 174723007

Frequently Asked Questions

What is the IUPAC name of 5-(3-carbamoylphenyl)-2-chlorobenzoic acid?
The IUPAC name of 5-(3-carbamoylphenyl)-2-chlorobenzoic acid (CID 53226144) is 5-(3-carbamoylphenyl)-2-chlorobenzoic acid.
What is the SMILES notation for 5-(3-carbamoylphenyl)-2-chlorobenzoic acid?
The canonical SMILES for 5-(3-carbamoylphenyl)-2-chlorobenzoic acid is NC(=O)c1cccc(-c2ccc(Cl)c(C(=O)O)c2)c1.
What is the InChIKey of 5-(3-carbamoylphenyl)-2-chlorobenzoic acid?
The InChIKey is ZHCQQZILXIPWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3/c15-12-5-4-9(7-11(12)14(18)19)8-2-1-3-10(6-8)13(16)17/h1-7H,(H2,16,17)(H,18,19).
What are the key properties of 5-(3-carbamoylphenyl)-2-chlorobenzoic acid?
5-(3-carbamoylphenyl)-2-chlorobenzoic acid has a molecular weight of 275.69 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carbamoylphenyl)-2-chlorobenzoic acid is sourced from PubChem (CID 53226144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).