(4-carbamoylphenyl)methyl 2-benzamidobenzoate

C22H18N2O4 — CID 17410103

IUPAC(4-carbamoylphenyl)methyl 2-benzamidobenzoate
SMILESNC(=O)c1ccc(COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18N2O4/c23-20(25)16-12-10-15(11-13-16)14-28-22(27)18-8-4-5-9-19(18)24-21(26)17-6-2-1-3-7-17/h1-13H,14H2,(H2,23,25)(H,24,26)
InChIKeyCVIWBRNYRAOHOY-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.39
Rot. Bonds6

About (4-carbamoylphenyl)methyl 2-benzamidobenzoate

(4-carbamoylphenyl)methyl 2-benzamidobenzoate (PubChem CID 17410103) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is (4-carbamoylphenyl)methyl 2-benzamidobenzoate.

Molecular Properties

Compound Name(4-carbamoylphenyl)methyl 2-benzamidobenzoate
PubChem CID17410103
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name(4-carbamoylphenyl)methyl 2-benzamidobenzoate
SMILESNC(=O)c1ccc(COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18N2O4/c23-20(25)16-12-10-15(11-13-16)14-28-22(27)18-8-4-5-9-19(18)24-21(26)17-6-2-1-3-7-17/h1-13H,14H2,(H2,23,25)(H,24,26)
InChIKeyCVIWBRNYRAOHOY-UHFFFAOYSA-N
XLogP3.39
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-iodophenyl)methyl 2-benzamidobenzoate
CID 4601230
(4-carbamoylphenyl)methyl 2-(methylamino)benzoate
CID 18136279
4-N-(2-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 71944310
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
2-benzamidobenzamide
CID 702115
benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate
CID 172557349
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
2-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 102850971
[4-(phenylcarbamoyl)phenyl]methyl 2-methylsulfonylbenzoate
CID 7724467
3,3,3-trifluoropropyl 2-benzamidobenzoate
CID 9451697
methyl 2-[[4-[(diaminomethylideneamino)methyl]benzoyl]amino]benzoate
CID 14211291

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methyl 2-benzamidobenzoate?
The IUPAC name of (4-carbamoylphenyl)methyl 2-benzamidobenzoate (CID 17410103) is (4-carbamoylphenyl)methyl 2-benzamidobenzoate.
What is the SMILES notation for (4-carbamoylphenyl)methyl 2-benzamidobenzoate?
The canonical SMILES for (4-carbamoylphenyl)methyl 2-benzamidobenzoate is NC(=O)c1ccc(COC(=O)c2ccccc2NC(=O)c2ccccc2)cc1.
What is the InChIKey of (4-carbamoylphenyl)methyl 2-benzamidobenzoate?
The InChIKey is CVIWBRNYRAOHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c23-20(25)16-12-10-15(11-13-16)14-28-22(27)18-8-4-5-9-19(18)24-21(26)17-6-2-1-3-7-17/h1-13H,14H2,(H2,23,25)(H,24,26).
What are the key properties of (4-carbamoylphenyl)methyl 2-benzamidobenzoate?
(4-carbamoylphenyl)methyl 2-benzamidobenzoate has a molecular weight of 374.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methyl 2-benzamidobenzoate is sourced from PubChem (CID 17410103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).