N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide

C20H19ClN2O — CID 112803367

IUPACN,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H19ClN2O/c1-22-15-18(21)12-19(22)20(24)23(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-12,15H,13-14H2,1H3
InChIKeyFLQAQECIAOOZDC-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.52
Rot. Bonds5

About N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide

N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide (PubChem CID 112803367) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide
PubChem CID112803367
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC NameN,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H19ClN2O/c1-22-15-18(21)12-19(22)20(24)23(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-12,15H,13-14H2,1H3
InChIKeyFLQAQECIAOOZDC-UHFFFAOYSA-N
XLogP4.52
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide 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

N-benzyl-4-bromo-N-(cyanomethyl)-1-methylpyrrole-2-carboxamide
CID 61041488
N-(3-aminopropyl)-N-benzyl-4-bromo-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120648433
4-acetyl-N-(3-aminopropyl)-N-benzyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120649222
2-[(4-chloro-1-methylpyrrole-2-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 62817871
methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)-methylamino]benzoate
CID 43423137
4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54978696
2-[(4-chloro-1-methylpyrrole-2-carbonyl)-cyclopentylamino]acetic acid
CID 54926471
N-benzyl-N-ethyl-1-methyl-4-(2-morpholin-4-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443096
N-(2-aminoethyl)-N-benzyl-2-methylpyrazole-3-carboxamide
CID 62920452
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
2-N-(2-aminoethyl)-1-methyl-2-N-(2-phenylethyl)pyrrole-2,4-dicarboxamide
CID 120886586
4-acetyl-N-(2-aminoethyl)-1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 120885992

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide?
The IUPAC name of N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide (CID 112803367) is N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide?
The InChIKey is FLQAQECIAOOZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-22-15-18(21)12-19(22)20(24)23(13-16-8-4-2-5-9-16)14-17-10-6-3-7-11-17/h2-12,15H,13-14H2,1H3.
What are the key properties of N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide?
N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-chloro-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 112803367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).