2-[[4-(phenoxymethyl)benzoyl]amino]benzamide

C21H18N2O3 — CID 924413

IUPAC2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c22-20(24)18-8-4-5-9-19(18)23-21(25)16-12-10-15(11-13-16)14-26-17-6-2-1-3-7-17/h1-13H,14H2,(H2,22,24)(H,23,25)
InChIKeyBPXQXWGIQRXJQR-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.62
Rot. Bonds6

About 2-[[4-(phenoxymethyl)benzoyl]amino]benzamide

2-[[4-(phenoxymethyl)benzoyl]amino]benzamide (PubChem CID 924413) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[[4-(phenoxymethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
PubChem CID924413
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c22-20(24)18-8-4-5-9-19(18)23-21(25)16-12-10-15(11-13-16)14-26-17-6-2-1-3-7-17/h1-13H,14H2,(H2,22,24)(H,23,25)
InChIKeyBPXQXWGIQRXJQR-UHFFFAOYSA-N
XLogP3.62
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 15943277
2-benzamidobenzamide
CID 702115
2-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 102850971
N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 56573149
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
CID 7946940
2-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2995862
(4-carbamoylphenyl)methyl 2-benzamidobenzoate
CID 17410103
2-[(4-hydroxybenzoyl)amino]benzamide
CID 110462650
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]benzamide
CID 17119515

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(phenoxymethyl)benzoyl]amino]benzamide?
The IUPAC name of 2-[[4-(phenoxymethyl)benzoyl]amino]benzamide (CID 924413) is 2-[[4-(phenoxymethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-(phenoxymethyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-[[4-(phenoxymethyl)benzoyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of 2-[[4-(phenoxymethyl)benzoyl]amino]benzamide?
The InChIKey is BPXQXWGIQRXJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c22-20(24)18-8-4-5-9-19(18)23-21(25)16-12-10-15(11-13-16)14-26-17-6-2-1-3-7-17/h1-13H,14H2,(H2,22,24)(H,23,25).
What are the key properties of 2-[[4-(phenoxymethyl)benzoyl]amino]benzamide?
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide has a molecular weight of 346.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(phenoxymethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 924413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).