4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide

C14H13Cl3N2O — CID 78853144

IUPAC4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C14H13Cl3N2O/c1-2-19(8-9-5-3-4-6-10(9)15)14(20)12-7-11(16)13(17)18-12/h3-7,18H,2,8H2,1H3
InChIKeyWISMAGCQRSMHLN-UHFFFAOYSA-N
MW331.63 g/mol
LogP4.64
Rot. Bonds4

About 4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide

4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide (PubChem CID 78853144) has the molecular formula C14H13Cl3N2O and a molecular weight of 331.63 g/mol. Its IUPAC name is 4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
PubChem CID78853144
Molecular FormulaC14H13Cl3N2O
Molecular Weight331.63 g/mol
Exact Mass330.01
IUPAC Name4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C14H13Cl3N2O/c1-2-19(8-9-5-3-4-6-10(9)15)14(20)12-7-11(16)13(17)18-12/h3-7,18H,2,8H2,1H3
InChIKeyWISMAGCQRSMHLN-UHFFFAOYSA-N
XLogP4.64
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.63
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-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-[(2-chlorophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
CID 112817412
4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide
CID 107074472
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
3-amino-2-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbenzamide
CID 115930313
N-[(2-chlorophenyl)methyl]-N-ethyl-1-methyl-2-oxopyridine-4-carboxamide
CID 103612417
2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265237
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
methyl 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952949
N-[(2-chlorophenyl)methyl]-N-ethyl-3-(2-methoxyethoxy)benzamide
CID 60566746
4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106608927

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide (CID 78853144) is 4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide is CCN(Cc1ccccc1Cl)C(=O)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide?
The InChIKey is WISMAGCQRSMHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2O/c1-2-19(8-9-5-3-4-6-10(9)15)14(20)12-7-11(16)13(17)18-12/h3-7,18H,2,8H2,1H3.
What are the key properties of 4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide has a molecular weight of 331.63 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[(2-chlorophenyl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 78853144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).