[2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid

C12H9ClN2O3 — CID 23321778

IUPAC[2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid
SMILESO=C(O)Nn1cccc1C(=O)c1ccccc1Cl
InChIInChI=1S/C12H9ClN2O3/c13-9-5-2-1-4-8(9)11(16)10-6-3-7-15(10)14-12(17)18/h1-7,14H,(H,17,18)
InChIKeyQQYOVGQUXBGBAM-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.59
Rot. Bonds3

About [2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid

[2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid (PubChem CID 23321778) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is [2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid.

Molecular Properties

Compound Name[2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid
PubChem CID23321778
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name[2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid
SMILESO=C(O)Nn1cccc1C(=O)c1ccccc1Cl
InChIInChI=1S/C12H9ClN2O3/c13-9-5-2-1-4-8(9)11(16)10-6-3-7-15(10)14-12(17)18/h1-7,14H,(H,17,18)
InChIKeyQQYOVGQUXBGBAM-UHFFFAOYSA-N
XLogP2.59
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N'-[phenyl(2-pyridinyl)methylene]benzohydrazide
CID 5411796
2-Chloro-benzoic acid (1-pyridin-2-yl-ethylidene)-hydrazide
CID 9590742
4-(2,4-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carbohydrazide
CID 3802144
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide
CID 9583542
N'-[(E)-(2-chlorophenyl)methylidene]pyridine-2-carbohydrazide
CID 5401990
(2-Chlorophenyl)-[1-(4-hydroxybutyl)pyrrol-2-yl]methanone
CID 177375484
N-[4-[2-(2-chlorobenzoyl)pyrrol-1-yl]butyl]acetamide
CID 177375505
4-[2-(2-Chlorobenzoyl)pyrrol-1-yl]butanoic acid
CID 177375506
2-[3-[2-(2-Chlorobenzoyl)pyrrol-1-yl]propyl]guanidine
CID 177375508
N-[(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide
CID 2805921
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-1-methylpyrrole-2-carboxamide
CID 5714024
2-chloro-N-[2-(2-fluorobenzoyl)pyrrol-1-yl]acetamide
CID 13457729

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid?
The IUPAC name of [2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid (CID 23321778) is [2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid.
What is the SMILES notation for [2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid?
The canonical SMILES for [2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid is O=C(O)Nn1cccc1C(=O)c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid?
The InChIKey is QQYOVGQUXBGBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c13-9-5-2-1-4-8(9)11(16)10-6-3-7-15(10)14-12(17)18/h1-7,14H,(H,17,18).
What are the key properties of [2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid?
[2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid has a molecular weight of 264.67 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorobenzoyl)pyrrol-1-yl]carbamic acid is sourced from PubChem (CID 23321778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).