4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid

C19H13ClN2O3 — CID 66877887

IUPAC4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C19H13ClN2O3/c20-16-9-8-14(11-15(16)17-3-1-2-10-21-17)22-18(23)12-4-6-13(7-5-12)19(24)25/h1-11H,(H,22,23)(H,24,25)
InChIKeyXAKUZIPPAIMWBB-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.35
Rot. Bonds4

About 4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid

4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid (PubChem CID 66877887) has the molecular formula C19H13ClN2O3 and a molecular weight of 352.78 g/mol. Its IUPAC name is 4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
PubChem CID66877887
Molecular FormulaC19H13ClN2O3
Molecular Weight352.78 g/mol
Exact Mass352.06
IUPAC Name4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C19H13ClN2O3/c20-16-9-8-14(11-15(16)17-3-1-2-10-21-17)22-18(23)12-4-6-13(7-5-12)19(24)25/h1-11H,(H,22,23)(H,24,25)
InChIKeyXAKUZIPPAIMWBB-UHFFFAOYSA-N
XLogP4.35
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid
CID 141316203
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]ethyl-oxosulfanium
CID 174102017
6-(bromomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)pyridine-3-carboxamide
CID 66877640
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide
CID 58614731
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90130539
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine
CID 143831215
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(dimethylamino)butyl]benzamide
CID 58227039
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
CID 58614840
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide
CID 58614668

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid (CID 66877887) is 4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.
What is the InChIKey of 4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid?
The InChIKey is XAKUZIPPAIMWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3/c20-16-9-8-14(11-15(16)17-3-1-2-10-21-17)22-18(23)12-4-6-13(7-5-12)19(24)25/h1-11H,(H,22,23)(H,24,25).
What are the key properties of 4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid?
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid has a molecular weight of 352.78 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 66877887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).