2-[(3-fluorophenyl)methylcarbamoylamino]benzamide

C15H14FN3O2 — CID 108898547

IUPAC2-[(3-fluorophenyl)methylcarbamoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)NCc1cccc(F)c1
InChIInChI=1S/C15H14FN3O2/c16-11-5-3-4-10(8-11)9-18-15(21)19-13-7-2-1-6-12(13)14(17)20/h1-8H,9H2,(H2,17,20)(H2,18,19,21)
InChIKeyJGUFPKUAIYZKRV-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.25
Rot. Bonds4

About 2-[(3-fluorophenyl)methylcarbamoylamino]benzamide

2-[(3-fluorophenyl)methylcarbamoylamino]benzamide (PubChem CID 108898547) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylcarbamoylamino]benzamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylcarbamoylamino]benzamide
PubChem CID108898547
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name2-[(3-fluorophenyl)methylcarbamoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)NCc1cccc(F)c1
InChIInChI=1S/C15H14FN3O2/c16-11-5-3-4-10(8-11)9-18-15(21)19-13-7-2-1-6-12(13)14(17)20/h1-8H,9H2,(H2,17,20)(H2,18,19,21)
InChIKeyJGUFPKUAIYZKRV-UHFFFAOYSA-N
XLogP2.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-fluorophenyl)propanoylamino]benzamide
CID 110675454
1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 108892644
1-(3-chloro-2-methylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47193368
2-[2-(4-fluorophenyl)ethylcarbamoylamino]benzamide
CID 108902156
1-[(3-fluorophenyl)methyl]-3-sulfanylurea
CID 141033956
1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898501
2-[(3,5-difluorophenyl)carbamoylamino]benzamide
CID 156854272
1-benzyl-3-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]urea
CID 107654444
1-[(3-aminophenyl)methyl]-3-(2,4-difluorophenyl)urea
CID 62498968
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
1-[(3-fluorophenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 108898468

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylcarbamoylamino]benzamide?
The IUPAC name of 2-[(3-fluorophenyl)methylcarbamoylamino]benzamide (CID 108898547) is 2-[(3-fluorophenyl)methylcarbamoylamino]benzamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methylcarbamoylamino]benzamide?
The canonical SMILES for 2-[(3-fluorophenyl)methylcarbamoylamino]benzamide is NC(=O)c1ccccc1NC(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylcarbamoylamino]benzamide?
The InChIKey is JGUFPKUAIYZKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-11-5-3-4-10(8-11)9-18-15(21)19-13-7-2-1-6-12(13)14(17)20/h1-8H,9H2,(H2,17,20)(H2,18,19,21).
What are the key properties of 2-[(3-fluorophenyl)methylcarbamoylamino]benzamide?
2-[(3-fluorophenyl)methylcarbamoylamino]benzamide has a molecular weight of 287.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylcarbamoylamino]benzamide is sourced from PubChem (CID 108898547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).