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

C13H11Cl3N2O — CID 47118898

IUPAC4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Cl)c[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2O/c1-7(10-3-2-8(14)4-11(10)16)18-13(19)12-5-9(15)6-17-12/h2-7,17H,1H3,(H,18,19)
InChIKeyMROJPYCEFGYKEK-UHFFFAOYSA-N
MW317.60 g/mol
LogP4.47
Rot. Bonds3

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

4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 47118898) has the molecular formula C13H11Cl3N2O and a molecular weight of 317.60 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID47118898
Molecular FormulaC13H11Cl3N2O
Molecular Weight317.60 g/mol
Exact Mass315.99
IUPAC Name4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Cl)c[nH]1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2O/c1-7(10-3-2-8(14)4-11(10)16)18-13(19)12-5-9(15)6-17-12/h2-7,17H,1H3,(H,18,19)
InChIKeyMROJPYCEFGYKEK-UHFFFAOYSA-N
XLogP4.47
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 134012860
4-chloro-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 39996078
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 43101350
2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 43235797
4-chloro-N-(3-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 130921065
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 61117966
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide (CID 47118898) is 4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide is CC(NC(=O)c1cc(Cl)c[nH]1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is MROJPYCEFGYKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O/c1-7(10-3-2-8(14)4-11(10)16)18-13(19)12-5-9(15)6-17-12/h2-7,17H,1H3,(H,18,19).
What are the key properties of 4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 317.60 g/mol, XLogP of 4.47, 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-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47118898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).