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

C20H16ClN3O3 — CID 141316203

IUPAC[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C20H16ClN3O3/c21-17-9-8-15(11-16(17)18-3-1-2-10-22-18)24-19(25)14-6-4-13(5-7-14)12-23-20(26)27/h1-11,23H,12H2,(H,24,25)(H,26,27)
InChIKeyNDKGEFLXFGZNQM-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.42
Rot. Bonds5

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

[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid (PubChem CID 141316203) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is [4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid
PubChem CID141316203
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C20H16ClN3O3/c21-17-9-8-15(11-16(17)18-3-1-2-10-22-18)24-19(25)14-6-4-13(5-7-14)12-23-20(26)27/h1-11,23H,12H2,(H,24,25)(H,26,27)
InChIKeyNDKGEFLXFGZNQM-UHFFFAOYSA-N
XLogP4.42
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.42
H-Bond Donors ≤ 53
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]benzoic acid
CID 66877887
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[[[(1Z,3E)-penta-1,3-dienyl]amino]methyl]benzamide
CID 143198916
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311
N-(4-chloro-3-pyridin-2-ylphenyl)-4-[4-(dimethylamino)butyl]benzamide
CID 58227039
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
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-[[(methylideneamino)-(methyliminomethyl)amino]methyl]benzamide
CID 154938344
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
CID 58614842
tert-butyl N-[[3-chloro-4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 66877970
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(propylamino)pyridine-3-carboxamide
CID 170126154

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid?
The IUPAC name of [4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid (CID 141316203) is [4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid.
What is the SMILES notation for [4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid?
The canonical SMILES for [4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid is O=C(O)NCc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.
What is the InChIKey of [4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid?
The InChIKey is NDKGEFLXFGZNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c21-17-9-8-15(11-16(17)18-3-1-2-10-22-18)24-19(25)14-6-4-13(5-7-14)12-23-20(26)27/h1-11,23H,12H2,(H,24,25)(H,26,27).
What are the key properties of [4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid?
[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid has a molecular weight of 381.82 g/mol, XLogP of 4.42, 5 rotatable bonds, 3 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]phenyl]methylcarbamic acid is sourced from PubChem (CID 141316203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).