[4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate

C19H16ClFN2O2 — CID 68882502

IUPAC[4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate
SMILESCn1cc(CF)c(OC(=O)Nc2ccccc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H16ClFN2O2/c1-23-11-14(10-21)18(12-23)25-19(24)22-17-5-3-2-4-16(17)13-6-8-15(20)9-7-13/h2-9,11-12H,10H2,1H3,(H,22,24)
InChIKeyURPUQXLNLDBMCI-UHFFFAOYSA-N
MW358.80 g/mol
LogP5.43
Rot. Bonds4

About [4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate

[4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate (PubChem CID 68882502) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is [4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate.

Molecular Properties

Compound Name[4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate
PubChem CID68882502
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name[4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate
SMILESCn1cc(CF)c(OC(=O)Nc2ccccc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H16ClFN2O2/c1-23-11-14(10-21)18(12-23)25-19(24)22-17-5-3-2-4-16(17)13-6-8-15(20)9-7-13/h2-9,11-12H,10H2,1H3,(H,22,24)
InChIKeyURPUQXLNLDBMCI-UHFFFAOYSA-N
XLogP5.43
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.80
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane
CID 143363894
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl] N-[2-(4-methylsulfonylphenyl)phenyl]carbamate
CID 69196450
3-[dichloro(fluoro)methyl]-N-[2-(3,4-dichlorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 67374092
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenylphenyl)acetamide
CID 16878671
[(3R)-1-ethylpyrrolidin-3-yl]methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate
CID 121425475
(1-propan-2-ylpyrrolidin-3-yl)methyl N-[2-(3-chloro-4-fluorophenyl)phenyl]carbamate
CID 144785480
N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide
CID 91533678
N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
CID 69049578
(2R)-2-tert-butyl-3-[[2-(3-chloro-4-fluorophenyl)phenyl]carbamoyloxymethyl]pyrrolidine-1-carboxylic acid
CID 121411301
N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide
CID 91453109
N-[2-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]phenyl]-1,4-dimethylpyrrole-3-carboxamide
CID 58802007
N-[2-(3,4-dichlorophenyl)phenyl]-3-iodo-1-methylpyrazole-4-carboxamide
CID 11454250

Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate?
The IUPAC name of [4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate (CID 68882502) is [4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate.
What is the SMILES notation for [4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate?
The canonical SMILES for [4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate is Cn1cc(CF)c(OC(=O)Nc2ccccc2-c2ccc(Cl)cc2)c1.
What is the InChIKey of [4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate?
The InChIKey is URPUQXLNLDBMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-23-11-14(10-21)18(12-23)25-19(24)22-17-5-3-2-4-16(17)13-6-8-15(20)9-7-13/h2-9,11-12H,10H2,1H3,(H,22,24).
What are the key properties of [4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate?
[4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate has a molecular weight of 358.80 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)-1-methylpyrrol-3-yl] N-[2-(4-chlorophenyl)phenyl]carbamate is sourced from PubChem (CID 68882502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).