[4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate

C20H17ClN2O3 — CID 8548996

IUPAC[4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate
SMILESCc1cc(NC(=O)c2ccc(COC(=O)c3ccc[nH]3)cc2)ccc1Cl
InChIInChI=1S/C20H17ClN2O3/c1-13-11-16(8-9-17(13)21)23-19(24)15-6-4-14(5-7-15)12-26-20(25)18-3-2-10-22-18/h2-11,22H,12H2,1H3,(H,23,24)
InChIKeyHHOIXSWCRQMRAD-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.59
Rot. Bonds5

About [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate

[4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate (PubChem CID 8548996) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate
PubChem CID8548996
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name[4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate
SMILESCc1cc(NC(=O)c2ccc(COC(=O)c3ccc[nH]3)cc2)ccc1Cl
InChIInChI=1S/C20H17ClN2O3/c1-13-11-16(8-9-17(13)21)23-19(24)15-6-4-14(5-7-15)12-26-20(25)18-3-2-10-22-18/h2-11,22H,12H2,1H3,(H,23,24)
InChIKeyHHOIXSWCRQMRAD-UHFFFAOYSA-N
XLogP4.59
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dichlorophenyl)methyl 1H-pyrrole-2-carboxylate
CID 7997154
(4-chlorophenyl)methyl 1H-pyrrole-2-carboxylate
CID 8543754
methyl 2-chloro-5-[[4-(methoxymethyl)benzoyl]amino]benzoate
CID 38239113
4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide
CID 113397345
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate
CID 7723510
4-(chloromethyl)-N-[4-[[4-(chloromethyl)benzoyl]amino]-3-methylphenyl]benzamide
CID 67251847
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
ethyl 2-(4-chloro-3-methylanilino)-2-oxoacetate
CID 121223568
[4-(phenylcarbamoyl)phenyl]methyl 6-chloropyridine-3-carboxylate
CID 8017399
N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
CID 126186357

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate?
The IUPAC name of [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate (CID 8548996) is [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate.
What is the SMILES notation for [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate?
The canonical SMILES for [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate is Cc1cc(NC(=O)c2ccc(COC(=O)c3ccc[nH]3)cc2)ccc1Cl.
What is the InChIKey of [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate?
The InChIKey is HHOIXSWCRQMRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-13-11-16(8-9-17(13)21)23-19(24)15-6-4-14(5-7-15)12-26-20(25)18-3-2-10-22-18/h2-11,22H,12H2,1H3,(H,23,24).
What are the key properties of [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate?
[4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate has a molecular weight of 368.82 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-3-methylphenyl)carbamoyl]phenyl]methyl 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 8548996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).