N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide

C17H16N2O3 — CID 126649145

IUPACN-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide
SMILESCc1ccc(C2CC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16N2O3/c1-11-2-3-14(12-4-5-12)10-16(11)18-17(20)13-6-8-15(9-7-13)19(21)22/h2-3,6-10,12H,4-5H2,1H3,(H,18,20)
InChIKeyXECVPDCUKMOXSX-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.03
Rot. Bonds4

About N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide

N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide (PubChem CID 126649145) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide
PubChem CID126649145
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide
SMILESCc1ccc(C2CC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H16N2O3/c1-11-2-3-14(12-4-5-12)10-16(11)18-17(20)13-6-8-15(9-7-13)19(21)22/h2-3,6-10,12H,4-5H2,1H3,(H,18,20)
InChIKeyXECVPDCUKMOXSX-UHFFFAOYSA-N
XLogP4.03
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-(5-hydroxy-2-methylphenyl)-4-nitrobenzamide
CID 141373878
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 22291073
4-cyclohexyl-N-(2,4-dinitrophenyl)benzamide
CID 44665405
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
4-methyl-3-[(4-nitrobenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22636158
N-[4-(1-adamantyl)-2-methylphenyl]-4-nitrobenzamide
CID 4667136
(4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40572815
4-cyclohexyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 46478092
4-butoxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 2246098

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide?
The IUPAC name of N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide (CID 126649145) is N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide is Cc1ccc(C2CC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide?
The InChIKey is XECVPDCUKMOXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-2-3-14(12-4-5-12)10-16(11)18-17(20)13-6-8-15(9-7-13)19(21)22/h2-3,6-10,12H,4-5H2,1H3,(H,18,20).
What are the key properties of N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide?
N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide has a molecular weight of 296.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-2-methylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 126649145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).