5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide

C18H13ClFNO2 — CID 16651382

IUPAC5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H13ClFNO2/c1-11-16(18(22)21-15-4-2-3-14(20)9-15)10-17(23-11)12-5-7-13(19)8-6-12/h2-10H,1H3,(H,21,22)
InChIKeyUUEIICNBFVRGHQ-UHFFFAOYSA-N
MW329.76 g/mol
LogP5.30
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide

5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide (PubChem CID 16651382) has the molecular formula C18H13ClFNO2 and a molecular weight of 329.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide
PubChem CID16651382
Molecular FormulaC18H13ClFNO2
Molecular Weight329.76 g/mol
Exact Mass329.06
IUPAC Name5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H13ClFNO2/c1-11-16(18(22)21-15-4-2-3-14(20)9-15)10-17(23-11)12-5-7-13(19)8-6-12/h2-10H,1H3,(H,21,22)
InChIKeyUUEIICNBFVRGHQ-UHFFFAOYSA-N
XLogP5.30
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.76
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 16651378
N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742801
2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
CID 16650715
5-(3,5-dichlorophenyl)-2-methyl-N-(3-nitrophenyl)furan-3-carboxamide
CID 2215470
5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 16651453
4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
CID 686471
ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 16651463
N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 17015561
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010
N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18808826
5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 16651429
5-(4-chlorophenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 155515471

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide (CID 16651382) is 5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide is Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccc(F)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is UUEIICNBFVRGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO2/c1-11-16(18(22)21-15-4-2-3-14(20)9-15)10-17(23-11)12-5-7-13(19)8-6-12/h2-10H,1H3,(H,21,22).
What are the key properties of 5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide?
5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide has a molecular weight of 329.76 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 16651382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).