N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide

C16H14N4O4 — CID 70008236

IUPACN-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide
SMILESNC(=O)NC(=O)c1ccccc1-c1ccccc1C(=O)NC(N)=O
InChIInChI=1S/C16H14N4O4/c17-15(23)19-13(21)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(22)20-16(18)24/h1-8H,(H3,17,19,21,23)(H3,18,20,22,24)
InChIKeyCZXXTUUOLBOICC-UHFFFAOYSA-N
MW326.31 g/mol
LogP0.97
Rot. Bonds3

About N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide

N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide (PubChem CID 70008236) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide
PubChem CID70008236
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC NameN-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide
SMILESNC(=O)NC(=O)c1ccccc1-c1ccccc1C(=O)NC(N)=O
InChIInChI=1S/C16H14N4O4/c17-15(23)19-13(21)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(22)20-16(18)24/h1-8H,(H3,17,19,21,23)(H3,18,20,22,24)
InChIKeyCZXXTUUOLBOICC-UHFFFAOYSA-N
XLogP0.97
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-[[4-(N'-hydroxycarbamimidoyl)phenyl]carbamoyl]phenyl]benzoic acid
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N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145
2-N-acetylbenzene-1,2-dicarboxamide
CID 19607558
N-carbamothioyl-2-chlorobenzamide
CID 3909253
N-hydroxy-2-(2-phenylphenyl)benzamide
CID 58121046
2-[2-[(4-acetamidophenyl)carbamoyl]phenyl]benzoic acid
CID 1113667
N-(1,2,4-triazol-4-yl)-2-[2-(1,2,4-triazol-4-ylcarbamoyl)phenyl]benzamide
CID 23991813
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-(2-aminophenyl)benzoyl chloride
CID 54476428

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide?
The IUPAC name of N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide (CID 70008236) is N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide?
The canonical SMILES for N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide is NC(=O)NC(=O)c1ccccc1-c1ccccc1C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide?
The InChIKey is CZXXTUUOLBOICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c17-15(23)19-13(21)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(22)20-16(18)24/h1-8H,(H3,17,19,21,23)(H3,18,20,22,24).
What are the key properties of N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide?
N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide has a molecular weight of 326.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[2-(carbamoylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 70008236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).