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

C12H9Cl2FN2O — CID 31303037

IUPAC4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C12H9Cl2FN2O/c13-9-5-10(17-11(9)14)12(18)16-6-7-1-3-8(15)4-2-7/h1-5,17H,6H2,(H,16,18)
InChIKeyXWEAYPWBEZQNBU-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.39
Rot. Bonds3

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

4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 31303037) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is 4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID31303037
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C12H9Cl2FN2O/c13-9-5-10(17-11(9)14)12(18)16-6-7-1-3-8(15)4-2-7/h1-5,17H,6H2,(H,16,18)
InChIKeyXWEAYPWBEZQNBU-UHFFFAOYSA-N
XLogP3.39
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 81090669
4,5-dichloro-N-[(4-cyanophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 78852900
3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
CID 4807069
methyl 5-[[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]methyl]-2-methoxybenzoate
CID 78833533
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide
CID 61216613
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201
N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 69360089
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054654

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide (CID 31303037) is 4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is XWEAYPWBEZQNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c13-9-5-10(17-11(9)14)12(18)16-6-7-1-3-8(15)4-2-7/h1-5,17H,6H2,(H,16,18).
What are the key properties of 4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 287.12 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 31303037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).