methyl 3-(benzamidocarbamoyl)benzoate

C16H14N2O4 — CID 17175438

IUPACmethyl 3-(benzamidocarbamoyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)NNC(=O)c2ccccc2)c1
InChIInChI=1S/C16H14N2O4/c1-22-16(21)13-9-5-8-12(10-13)15(20)18-17-14(19)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19)(H,18,20)
InChIKeyPSPWQGYCHRKFSI-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.55
Rot. Bonds3

About methyl 3-(benzamidocarbamoyl)benzoate

methyl 3-(benzamidocarbamoyl)benzoate (PubChem CID 17175438) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 3-(benzamidocarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(benzamidocarbamoyl)benzoate
PubChem CID17175438
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Namemethyl 3-(benzamidocarbamoyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)NNC(=O)c2ccccc2)c1
InChIInChI=1S/C16H14N2O4/c1-22-16(21)13-9-5-8-12(10-13)15(20)18-17-14(19)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19)(H,18,20)
InChIKeyPSPWQGYCHRKFSI-UHFFFAOYSA-N
XLogP1.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[(4-acetamidobenzoyl)amino]carbamoyl]benzoate
CID 17175396
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]benzoate
CID 17175462
azane;dimethyl benzene-1,3-dicarboxylate;hydron
CID 175196363
methyl 3-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamoyl]benzoate
CID 17175464
methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride
CID 122507435
dimethyl benzene-1,3-dicarboxylate;1-phenylpropan-2-one
CID 174735167
2-[(3-methoxycarbonylbenzoyl)amino]acetic acid
CID 108786639
methyl 3-acetylbenzoate
CID 15094405
dimethyl benzene-1,3-dicarboxylate;2-methylprop-2-enoic acid
CID 175103559
CID 157228504
CID 157228504

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzamidocarbamoyl)benzoate?
The IUPAC name of methyl 3-(benzamidocarbamoyl)benzoate (CID 17175438) is methyl 3-(benzamidocarbamoyl)benzoate.
What is the SMILES notation for methyl 3-(benzamidocarbamoyl)benzoate?
The canonical SMILES for methyl 3-(benzamidocarbamoyl)benzoate is COC(=O)c1cccc(C(=O)NNC(=O)c2ccccc2)c1.
What is the InChIKey of methyl 3-(benzamidocarbamoyl)benzoate?
The InChIKey is PSPWQGYCHRKFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-22-16(21)13-9-5-8-12(10-13)15(20)18-17-14(19)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,19)(H,18,20).
What are the key properties of methyl 3-(benzamidocarbamoyl)benzoate?
methyl 3-(benzamidocarbamoyl)benzoate has a molecular weight of 298.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzamidocarbamoyl)benzoate is sourced from PubChem (CID 17175438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).