3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide

C16H14N4O4 — CID 139830477

IUPAC3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide
SMILESNC(=O)c1ccc(C(=O)NNC(=O)c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C16H14N4O4/c17-13(21)9-4-6-10(7-5-9)15(23)19-20-16(24)12-3-1-2-11(8-12)14(18)22/h1-8H,(H2,17,21)(H2,18,22)(H,19,23)(H,20,24)
InChIKeyZFIHLVNLRSHLQK-UHFFFAOYSA-N
MW326.31 g/mol
LogP-0.04
Rot. Bonds4

About 3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide

3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide (PubChem CID 139830477) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide.

Molecular Properties

Compound Name3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide
PubChem CID139830477
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide
SMILESNC(=O)c1ccc(C(=O)NNC(=O)c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C16H14N4O4/c17-13(21)9-4-6-10(7-5-9)15(23)19-20-16(24)12-3-1-2-11(8-12)14(18)22/h1-8H,(H2,17,21)(H2,18,22)(H,19,23)(H,20,24)
InChIKeyZFIHLVNLRSHLQK-UHFFFAOYSA-N
XLogP-0.04
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-methylbutanoylamino)carbamoyl]benzamide
CID 30828709
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910
3-N-ethenylbenzene-1,3-dicarboxamide
CID 68671351
3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide
CID 167774619
3-carbamoylbenzoic acid
CID 3014284
3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
CID 30827773
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 17175176
4-(azepane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 22001051
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
CID 81482947
3-carbamothioyl-N-(3-carbamoylphenyl)benzamide
CID 107811391

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide?
The IUPAC name of 3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide (CID 139830477) is 3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide.
What is the SMILES notation for 3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide?
The canonical SMILES for 3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide is NC(=O)c1ccc(C(=O)NNC(=O)c2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide?
The InChIKey is ZFIHLVNLRSHLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c17-13(21)9-4-6-10(7-5-9)15(23)19-20-16(24)12-3-1-2-11(8-12)14(18)22/h1-8H,(H2,17,21)(H2,18,22)(H,19,23)(H,20,24).
What are the key properties of 3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide?
3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide has a molecular weight of 326.31 g/mol, XLogP of -0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide is sourced from PubChem (CID 139830477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).