N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide

C16H15N3O4 — CID 84819035

IUPACN-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide
SMILESO=C(NC1CC1)c1ccc(Nc2cccc(O)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O4/c20-13-3-1-2-12(9-13)17-14-7-4-10(8-15(14)19(22)23)16(21)18-11-5-6-11/h1-4,7-9,11,17,20H,5-6H2,(H,18,21)
InChIKeyWRZFFHZAJWSDCZ-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.94
Rot. Bonds5

About N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide

N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide (PubChem CID 84819035) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide
PubChem CID84819035
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide
SMILESO=C(NC1CC1)c1ccc(Nc2cccc(O)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O4/c20-13-3-1-2-12(9-13)17-14-7-4-10(8-15(14)19(22)23)16(21)18-11-5-6-11/h1-4,7-9,11,17,20H,5-6H2,(H,18,21)
InChIKeyWRZFFHZAJWSDCZ-UHFFFAOYSA-N
XLogP2.94
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3-hydroxyanilino)-3-nitro-N-phenylbenzamide
CID 84819036
4-anilino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-nitrobenzamide
CID 25343813
4-anilino-3-nitro-N-(6-oxopiperidin-3-yl)benzamide
CID 60616996
4-(3-aminoanilino)-3-nitrobenzamide
CID 43448379
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
4-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-3-nitrobenzamide
CID 31098173
4-anilino-3-nitrobenzoic acid
CID 3824366
4-(cyclopropylamino)-N-(1-cyclopropylpiperidin-4-yl)-3-nitrobenzamide
CID 26131147
N-cyclopropyl-4-(2,3-dihydro-1H-inden-1-ylamino)-3-nitrobenzamide
CID 51301435
3-[2-nitro-4-(trifluoromethyl)anilino]phenol
CID 4763940
N-[3-(4-acetyl-2-nitroanilino)phenyl]cyclopropanecarboxamide
CID 36725051
4-anilino-N-methyl-3-nitrobenzamide
CID 47122651

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide?
The IUPAC name of N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide (CID 84819035) is N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide.
What is the SMILES notation for N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide?
The canonical SMILES for N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide is O=C(NC1CC1)c1ccc(Nc2cccc(O)c2)c([N+](=O)[O-])c1.
What is the InChIKey of N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide?
The InChIKey is WRZFFHZAJWSDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c20-13-3-1-2-12(9-13)17-14-7-4-10(8-15(14)19(22)23)16(21)18-11-5-6-11/h1-4,7-9,11,17,20H,5-6H2,(H,18,21).
What are the key properties of N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide?
N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide has a molecular weight of 313.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-hydroxyanilino)-3-nitrobenzamide is sourced from PubChem (CID 84819035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).