4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide

C19H21N3O3 — CID 9151199

IUPAC4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H21N3O3/c1-12(2)13-4-3-5-16(10-13)21-19(23)14-6-9-17(20-15-7-8-15)18(11-14)22(24)25/h3-6,9-12,15,20H,7-8H2,1-2H3,(H,21,23)
InChIKeyBNQCIIBGTWRDOO-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.54
Rot. Bonds6

About 4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide

4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 9151199) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
PubChem CID9151199
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
SMILESCC(C)c1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H21N3O3/c1-12(2)13-4-3-5-16(10-13)21-19(23)14-6-9-17(20-15-7-8-15)18(11-14)22(24)25/h3-6,9-12,15,20H,7-8H2,1-2H3,(H,21,23)
InChIKeyBNQCIIBGTWRDOO-UHFFFAOYSA-N
XLogP4.54
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.54
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

N-(3-cyanophenyl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 26727779
4-(cyclohexylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 2948532
4-bromo-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 26177953
4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 42236853
4-(cyclopropylamino)-N-[3-(diethylaminomethyl)phenyl]-3-nitrobenzamide
CID 46413061
3-[4-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]phenyl]-2-methylpropanoic acid
CID 120541436
3-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119219095
4-(cyclopropylamino)-N-(4-fluorophenyl)-3-nitrobenzamide
CID 7892893
4-(cyclopropylamino)-N-(3-fluoro-4-methylphenyl)-3-nitrobenzamide
CID 9147384
4-(cyclopropylamino)-3-nitro-N-[(2R)-2-phenylpropyl]benzamide
CID 9153979
4-(cyclopropylamino)-N-[3-(morpholine-4-carbonyl)phenyl]-3-nitrobenzamide
CID 55797008
3-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-4-propan-2-yloxybenzoic acid
CID 119196636

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide (CID 9151199) is 4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide is CC(C)c1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is BNQCIIBGTWRDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(2)13-4-3-5-16(10-13)21-19(23)14-6-9-17(20-15-7-8-15)18(11-14)22(24)25/h3-6,9-12,15,20H,7-8H2,1-2H3,(H,21,23).
What are the key properties of 4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide?
4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 339.40 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 9151199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).