N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide

C18H14ClNO2 — CID 35182283

IUPACN-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1)N(Cc1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClNO2/c19-15-8-4-9-16(12-15)20(13-17-10-5-11-22-17)18(21)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyRGQJQNXEQAHQEE-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.78
Rot. Bonds4

About N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide

N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide (PubChem CID 35182283) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide
PubChem CID35182283
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC NameN-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide
SMILESO=C(c1ccccc1)N(Cc1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClNO2/c19-15-8-4-9-16(12-15)20(13-17-10-5-11-22-17)18(21)14-6-2-1-3-7-14/h1-12H,13H2
InChIKeyRGQJQNXEQAHQEE-UHFFFAOYSA-N
XLogP4.78
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide (CID 35182283) is N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide is O=C(c1ccccc1)N(Cc1ccco1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide?
The InChIKey is RGQJQNXEQAHQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c19-15-8-4-9-16(12-15)20(13-17-10-5-11-22-17)18(21)14-6-2-1-3-7-14/h1-12H,13H2.
What are the key properties of N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide?
N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide has a molecular weight of 311.77 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 35182283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).