4-amino-N-(phenoxymethylcarbamoyl)benzamide

C15H15N3O3 — CID 108888975

IUPAC4-amino-N-(phenoxymethylcarbamoyl)benzamide
SMILESNc1ccc(C(=O)NC(=O)NCOc2ccccc2)cc1
InChIInChI=1S/C15H15N3O3/c16-12-8-6-11(7-9-12)14(19)18-15(20)17-10-21-13-4-2-1-3-5-13/h1-9H,10,16H2,(H2,17,18,19,20)
InChIKeyXPNXEIDKUHRJDA-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.74
Rot. Bonds4

About 4-amino-N-(phenoxymethylcarbamoyl)benzamide

4-amino-N-(phenoxymethylcarbamoyl)benzamide (PubChem CID 108888975) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-amino-N-(phenoxymethylcarbamoyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(phenoxymethylcarbamoyl)benzamide
PubChem CID108888975
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-amino-N-(phenoxymethylcarbamoyl)benzamide
SMILESNc1ccc(C(=O)NC(=O)NCOc2ccccc2)cc1
InChIInChI=1S/C15H15N3O3/c16-12-8-6-11(7-9-12)14(19)18-15(20)17-10-21-13-4-2-1-3-5-13/h1-9H,10,16H2,(H2,17,18,19,20)
InChIKeyXPNXEIDKUHRJDA-UHFFFAOYSA-N
XLogP1.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
4-amino-N-(2-methylpropylcarbamoyl)benzamide
CID 108867331
1-(4-acetylphenyl)-3-(phenoxymethyl)urea
CID 108888840
4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide
CID 108900107
4-amino-N-[[3-(2-phenoxyethyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82568875
2-amino-N-[(4-propylphenoxy)methylcarbamoyl]benzamide
CID 108879563
1-(phenoxymethyl)-3-prop-2-enylurea
CID 108888930
N-(ethylcarbamoyl)benzamide
CID 23273840
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
4-amino-N-[[3-(4-methylphenyl)-3-oxopropyl]carbamoyl]benzamide
CID 108874660
1-butan-2-yl-3-(phenoxymethyl)urea
CID 108888781
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(phenoxymethylcarbamoyl)benzamide?
The IUPAC name of 4-amino-N-(phenoxymethylcarbamoyl)benzamide (CID 108888975) is 4-amino-N-(phenoxymethylcarbamoyl)benzamide.
What is the SMILES notation for 4-amino-N-(phenoxymethylcarbamoyl)benzamide?
The canonical SMILES for 4-amino-N-(phenoxymethylcarbamoyl)benzamide is Nc1ccc(C(=O)NC(=O)NCOc2ccccc2)cc1.
What is the InChIKey of 4-amino-N-(phenoxymethylcarbamoyl)benzamide?
The InChIKey is XPNXEIDKUHRJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-12-8-6-11(7-9-12)14(19)18-15(20)17-10-21-13-4-2-1-3-5-13/h1-9H,10,16H2,(H2,17,18,19,20).
What are the key properties of 4-amino-N-(phenoxymethylcarbamoyl)benzamide?
4-amino-N-(phenoxymethylcarbamoyl)benzamide has a molecular weight of 285.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(phenoxymethylcarbamoyl)benzamide is sourced from PubChem (CID 108888975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).