4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide

C13H10ClFN2O2 — CID 2766547

IUPAC4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)c2ccc(F)cc2Cl)c[nH]1
InChIInChI=1S/C13H10ClFN2O2/c1-16-13(19)11-4-7(6-17-11)12(18)9-3-2-8(15)5-10(9)14/h2-6,17H,1H3,(H,16,19)
InChIKeyGJTBPXUBSCBNNW-UHFFFAOYSA-N
MW280.69 g/mol
LogP2.40
Rot. Bonds3

About 4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide

4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 2766547) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID2766547
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)c2ccc(F)cc2Cl)c[nH]1
InChIInChI=1S/C13H10ClFN2O2/c1-16-13(19)11-4-7(6-17-11)12(18)9-3-2-8(15)5-10(9)14/h2-6,17H,1H3,(H,16,19)
InChIKeyGJTBPXUBSCBNNW-UHFFFAOYSA-N
XLogP2.40
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Erk5-IN-4
CID 118959090
4-[2,3-Bis(Chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-Bis(Chloranyl)phenyl]carbonyl-1-Methyl-Pyrrol-2-Yl]carbonylamino]ethyl]-1-Methyl-Pyrrole-2-Carboxamide
CID 127021031
4-acetyl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide
CID 1489220
4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide
CID 1489239
2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]-1-ethanone
CID 2763608
(2-Amino-5-chlorophenyl)(1H-pyrrol-2-yl)methanone
CID 284707
N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide
CID 1481809
4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 1478396
N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
CID 1473194
4-(4-Chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 1482334
4-(cyclopropylcarbonyl)-N-(3-pyridinylmethyl)-1H-pyrrole-2-carboxamide
CID 1482640
4-(2-Ethyl-1-oxobutyl)-N-(4-pyridinylmethyl)-1H-pyrrole-2-carboxamide
CID 1489162

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide (CID 2766547) is 4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide is CNC(=O)c1cc(C(=O)c2ccc(F)cc2Cl)c[nH]1.
What is the InChIKey of 4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is GJTBPXUBSCBNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-16-13(19)11-4-7(6-17-11)12(18)9-3-2-8(15)5-10(9)14/h2-6,17H,1H3,(H,16,19).
What are the key properties of 4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide?
4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 280.69 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 2766547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).