4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide

C13H12Cl2N2O — CID 134012860

IUPAC4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Cl)c[nH]1)c1ccccc1Cl
InChIInChI=1S/C13H12Cl2N2O/c1-8(10-4-2-3-5-11(10)15)17-13(18)12-6-9(14)7-16-12/h2-8,16H,1H3,(H,17,18)
InChIKeyXRCUTMWWDQNNAU-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.81
Rot. Bonds3

About 4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 134012860) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID134012860
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Cl)c[nH]1)c1ccccc1Cl
InChIInChI=1S/C13H12Cl2N2O/c1-8(10-4-2-3-5-11(10)15)17-13(18)12-6-9(14)7-16-12/h2-8,16H,1H3,(H,17,18)
InChIKeyXRCUTMWWDQNNAU-UHFFFAOYSA-N
XLogP3.81
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 39996078
4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 47118898
1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-[1-(2-chlorophenyl)ethyl]urea
CID 17426044
1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-[(1S)-1-(2-chlorophenyl)ethyl]urea
CID 25444239
N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60786137
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 60674523
4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 47013078
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 81379610
(2S)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-2-phenylacetic acid
CID 28741778
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645
(2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 28741107

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide (CID 134012860) is 4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide is CC(NC(=O)c1cc(Cl)c[nH]1)c1ccccc1Cl.
What is the InChIKey of 4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is XRCUTMWWDQNNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-8(10-4-2-3-5-11(10)15)17-13(18)12-6-9(14)7-16-12/h2-8,16H,1H3,(H,17,18).
What are the key properties of 4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 283.16 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 134012860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).