4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide

C19H15F3N2O — CID 91542727

IUPAC4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2cccc(F)c2)c(C(F)F)c1
InChIInChI=1S/C19H15F3N2O/c1-24-10-15(18(21)22)16(11-24)19(25)23-17-8-3-2-7-14(17)12-5-4-6-13(20)9-12/h2-11,18H,1H3,(H,23,25)
InChIKeyDDNXQTBUNWMQTB-UHFFFAOYSA-N
MW344.34 g/mol
LogP5.02
Rot. Bonds4

About 4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide

4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide (PubChem CID 91542727) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide
PubChem CID91542727
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccccc2-c2cccc(F)c2)c(C(F)F)c1
InChIInChI=1S/C19H15F3N2O/c1-24-10-15(18(21)22)16(11-24)19(25)23-17-8-3-2-7-14(17)12-5-4-6-13(20)9-12/h2-11,18H,1H3,(H,23,25)
InChIKeyDDNXQTBUNWMQTB-UHFFFAOYSA-N
XLogP5.02
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.34
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethyl)-1-methyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrole-3-carboxamide
CID 91613425
3-(difluoromethyl)-1-methyl-N-[2-[3-(trifluoromethylsulfanyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 143664100
N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide
CID 91533678
3-(difluoromethyl)-N-[2-fluoro-6-(3-fluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 162541328
3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 66920609
3-(difluoromethyl)-N-[2-(2,5-difluorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 57466155
2-fluoro-2-[2-(3-fluorophenyl)phenyl]-N-methylacetamide
CID 58433967
N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
CID 138694042
1-methyl-N-[2-(3-methylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 150231794
2-(3-fluorophenyl)-N-hydroxybenzamide
CID 1393554
3,5-difluoro-N-(2-phenylphenyl)benzamide
CID 4794052
N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
CID 69049578

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide (CID 91542727) is 4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide is Cn1cc(C(=O)Nc2ccccc2-c2cccc(F)c2)c(C(F)F)c1.
What is the InChIKey of 4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide?
The InChIKey is DDNXQTBUNWMQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-24-10-15(18(21)22)16(11-24)19(25)23-17-8-3-2-7-14(17)12-5-4-6-13(20)9-12/h2-11,18H,1H3,(H,23,25).
What are the key properties of 4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide?
4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 91542727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).