1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

C19H20N2O3 — CID 100789042

IUPAC1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-13(2)14-3-7-16(8-4-14)20-18(22)19(11-12-19)15-5-9-17(10-6-15)21(23)24/h3-10,13H,11-12H2,1-2H3,(H,20,22)
InChIKeyGRBZMQTXMXCVPH-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.39
Rot. Bonds5

About 1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 100789042) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
PubChem CID100789042
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-13(2)14-3-7-16(8-4-14)20-18(22)19(11-12-19)15-5-9-17(10-6-15)21(23)24/h3-10,13H,11-12H2,1-2H3,(H,20,22)
InChIKeyGRBZMQTXMXCVPH-UHFFFAOYSA-N
XLogP4.39
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.39
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

1-(4-methylphenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113198278
N-(4-butan-2-yloxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 133179608
N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100789060
N-(4-methoxyphenyl)-1-[4-[[2-(4-nitrophenyl)acetyl]amino]phenyl]cyclopentane-1-carboxamide
CID 2958215
N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 3120388
N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100789064
N-[4-(2-ethoxyethoxy)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659626
1-(4-nitrophenyl)-3-[4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]urea
CID 166423466
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100659441
N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-4-(4-nitrophenyl)oxane-4-carboxamide
CID 100680482
N-(6-ethoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 100770596
N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (CID 100789042) is 1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is CC(C)c1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is GRBZMQTXMXCVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(2)14-3-7-16(8-4-14)20-18(22)19(11-12-19)15-5-9-17(10-6-15)21(23)24/h3-10,13H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100789042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).