4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide

C17H15N3O4 — CID 17359573

IUPAC4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H15N3O4/c21-16(11-4-5-11)18-13-8-6-12(7-9-13)17(22)19-14-2-1-3-15(10-14)20(23)24/h1-3,6-11H,4-5H2,(H,18,21)(H,19,22)
InChIKeyFLOURTWLKUDQJX-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.20
Rot. Bonds5

About 4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide

4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide (PubChem CID 17359573) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide
PubChem CID17359573
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H15N3O4/c21-16(11-4-5-11)18-13-8-6-12(7-9-13)17(22)19-14-2-1-3-15(10-14)20(23)24/h1-3,6-11H,4-5H2,(H,18,21)(H,19,22)
InChIKeyFLOURTWLKUDQJX-UHFFFAOYSA-N
XLogP3.20
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(3-nitrophenyl)benzamide
CID 38763493
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
4-(cyclopropanecarbonylamino)-N-(3-iodophenyl)benzamide
CID 9326139
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
4-N-(3-nitrophenyl)-1-N-[2-[[4-[(3-nitrophenyl)carbamoyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
CID 22152538
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
N-methyl-4-[(3-nitrophenyl)carbamoylamino]benzamide
CID 17180814
1-(4-tert-butylbenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 126057580
1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 9411138
N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638
5-hydroxy-1-N,3-N-bis(3-nitrophenyl)benzene-1,3-dicarboxamide
CID 15745029

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide (CID 17359573) is 4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide?
The InChIKey is FLOURTWLKUDQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-16(11-4-5-11)18-13-8-6-12(7-9-13)17(22)19-14-2-1-3-15(10-14)20(23)24/h1-3,6-11H,4-5H2,(H,18,21)(H,19,22).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide?
4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide has a molecular weight of 325.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 17359573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).