N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide

C18H14ClFN2O — CID 30138754

IUPACN-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1-n1cccc1
InChIInChI=1S/C18H14ClFN2O/c1-12-7-8-13(11-16(12)22-9-2-3-10-22)18(23)21-15-6-4-5-14(19)17(15)20/h2-11H,1H3,(H,21,23)
InChIKeyOAZIXBPOWPILIX-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.83
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide

N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 30138754) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
PubChem CID30138754
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC NameN-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1-n1cccc1
InChIInChI=1S/C18H14ClFN2O/c1-12-7-8-13(11-16(12)22-9-2-3-10-22)18(23)21-15-6-4-5-14(19)17(15)20/h2-11H,1H3,(H,21,23)
InChIKeyOAZIXBPOWPILIX-UHFFFAOYSA-N
XLogP4.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 18138394
N-(3-chloro-2-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9090103
N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590163
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
CID 110166689
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18277765
4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide
CID 46427634
N-(2-bromo-3-chlorophenyl)-4-fluoro-3-methylbenzamide
CID 103478813
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
CID 18156699
N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide
CID 63187023
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 28969294

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide (CID 30138754) is N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide is Cc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1-n1cccc1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is OAZIXBPOWPILIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c1-12-7-8-13(11-16(12)22-9-2-3-10-22)18(23)21-15-6-4-5-14(19)17(15)20/h2-11H,1H3,(H,21,23).
What are the key properties of N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 328.77 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 30138754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).