2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide

C19H14ClF2NO2 — CID 18290488

IUPAC2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C19H14ClF2NO2/c1-12-4-6-13(7-5-12)23(11-14-3-2-8-25-14)19(24)15-9-17(21)18(22)10-16(15)20/h2-10H,11H2,1H3
InChIKeyMLCUICNBAKWJAW-UHFFFAOYSA-N
MW361.78 g/mol
LogP5.37
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide

2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide (PubChem CID 18290488) has the molecular formula C19H14ClF2NO2 and a molecular weight of 361.78 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
PubChem CID18290488
Molecular FormulaC19H14ClF2NO2
Molecular Weight361.78 g/mol
Exact Mass361.07
IUPAC Name2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C19H14ClF2NO2/c1-12-4-6-13(7-5-12)23(11-14-3-2-8-25-14)19(24)15-9-17(21)18(22)10-16(15)20/h2-10H,11H2,1H3
InChIKeyMLCUICNBAKWJAW-UHFFFAOYSA-N
XLogP5.37
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.78
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide (CID 18290488) is 2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide is Cc1ccc(N(Cc2ccco2)C(=O)c2cc(F)c(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide?
The InChIKey is MLCUICNBAKWJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO2/c1-12-4-6-13(7-5-12)23(11-14-3-2-8-25-14)19(24)15-9-17(21)18(22)10-16(15)20/h2-10H,11H2,1H3.
What are the key properties of 2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide?
2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide has a molecular weight of 361.78 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 18290488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).