5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide

C13H15N3O3 — CID 9466178

IUPAC5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCC2)cc(C(N)=O)c1
InChIInChI=1S/C13H15N3O3/c14-11(17)8-4-9(12(15)18)6-10(5-8)16-13(19)7-2-1-3-7/h4-7H,1-3H2,(H2,14,17)(H2,15,18)(H,16,19)
InChIKeyCQMCDVJJHVCKLI-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.62
Rot. Bonds4

About 5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide

5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide (PubChem CID 9466178) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide
PubChem CID9466178
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NC(=O)C2CCC2)cc(C(N)=O)c1
InChIInChI=1S/C13H15N3O3/c14-11(17)8-4-9(12(15)18)6-10(5-8)16-13(19)7-2-1-3-7/h4-7H,1-3H2,(H2,14,17)(H2,15,18)(H,16,19)
InChIKeyCQMCDVJJHVCKLI-UHFFFAOYSA-N
XLogP0.62
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(piperidine-4-carbonylamino)benzene-1,3-dicarboxamide
CID 61276320
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
3-[(4-carbamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63790295
N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide
CID 7772829
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
5-(cyclopentanecarbonylamino)-1-N,3-N-bis(2-methylcyclohexyl)benzene-1,3-dicarboxamide
CID 58903264
5-(oxane-3-carbonylamino)benzene-1,3-dicarboxylic acid
CID 62760125
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
N-(3-bromo-5-fluorophenyl)cyclobutanecarboxamide
CID 124505704
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide?
The IUPAC name of 5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide (CID 9466178) is 5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide is NC(=O)c1cc(NC(=O)C2CCC2)cc(C(N)=O)c1.
What is the InChIKey of 5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide?
The InChIKey is CQMCDVJJHVCKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-11(17)8-4-9(12(15)18)6-10(5-8)16-13(19)7-2-1-3-7/h4-7H,1-3H2,(H2,14,17)(H2,15,18)(H,16,19).
What are the key properties of 5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide?
5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutanecarbonylamino)benzene-1,3-dicarboxamide is sourced from PubChem (CID 9466178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).