2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide

C15H14FN3O2 — CID 108867707

IUPAC2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide
SMILESNc1ccccc1C(=O)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FN3O2/c16-11-7-5-10(6-8-11)9-18-15(21)19-14(20)12-3-1-2-4-13(12)17/h1-8H,9,17H2,(H2,18,19,20,21)
InChIKeyUNSDNAYKGMAGOI-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.05
Rot. Bonds3

About 2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide

2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide (PubChem CID 108867707) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide
PubChem CID108867707
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide
SMILESNc1ccccc1C(=O)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C15H14FN3O2/c16-11-7-5-10(6-8-11)9-18-15(21)19-14(20)12-3-1-2-4-13(12)17/h1-8H,9,17H2,(H2,18,19,20,21)
InChIKeyUNSDNAYKGMAGOI-UHFFFAOYSA-N
XLogP2.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(4-methylphenyl)methylcarbamoyl]benzamide
CID 108899120
2-amino-N-[(3-chlorophenyl)methylcarbamoyl]benzamide
CID 108898720
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)benzamide
CID 142955436
N'-(2-aminobenzoyl)-N-[(4-methylphenyl)methyl]oxamide
CID 108518149
2-amino-N-[(4-chlorophenyl)methyl]benzamide
CID 7312564
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
2-amino-N-(1-benzothiophen-3-ylmethylcarbamoyl)benzamide
CID 142955391
2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide
CID 108901974
2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide
CID 43146267
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide
CID 108879563
2-fluoro-N-[2-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]ethyl]benzamide
CID 55978653

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide?
The IUPAC name of 2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide (CID 108867707) is 2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide.
What is the SMILES notation for 2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide?
The canonical SMILES for 2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide is Nc1ccccc1C(=O)NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide?
The InChIKey is UNSDNAYKGMAGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-11-7-5-10(6-8-11)9-18-15(21)19-14(20)12-3-1-2-4-13(12)17/h1-8H,9,17H2,(H2,18,19,20,21).
What are the key properties of 2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide?
2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide has a molecular weight of 287.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-fluorophenyl)methylcarbamoyl]benzamide is sourced from PubChem (CID 108867707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).