N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide

C13H12ClFN2O — CID 110766208

IUPACN-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(C)[nH]1
InChIInChI=1S/C13H12ClFN2O/c1-7-5-10(8(2)16-7)13(18)17-9-3-4-12(15)11(14)6-9/h3-6,16H,1-2H3,(H,17,18)
InChIKeySVAPKZBQACIQGY-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.68
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide

N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 110766208) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID110766208
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(C)[nH]1
InChIInChI=1S/C13H12ClFN2O/c1-7-5-10(8(2)16-7)13(18)17-9-3-4-12(15)11(14)6-9/h3-6,16H,1-2H3,(H,17,18)
InChIKeySVAPKZBQACIQGY-UHFFFAOYSA-N
XLogP3.68
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(3-chloro-4-fluorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110859395
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110766224
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide
CID 110859335
N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859321

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide (CID 110766208) is N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(C)[nH]1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is SVAPKZBQACIQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-7-5-10(8(2)16-7)13(18)17-9-3-4-12(15)11(14)6-9/h3-6,16H,1-2H3,(H,17,18).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 266.70 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110766208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).