N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide

C17H16N2O3 — CID 43025525

IUPACN-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
SMILESCc1c(NC(=O)C2(c3ccccc3)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H16N2O3/c1-12-14(8-5-9-15(12)19(21)22)18-16(20)17(10-11-17)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyKFPSIKLFLBPSBV-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.57
Rot. Bonds4

About N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide

N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 43025525) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID43025525
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
SMILESCc1c(NC(=O)C2(c3ccccc3)CC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H16N2O3/c1-12-14(8-5-9-15(12)19(21)22)18-16(20)17(10-11-17)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyKFPSIKLFLBPSBV-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
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-(2-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 2877363
N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100789060
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
(2-methyl-3-nitrophenyl)urea
CID 22416531
2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide
CID 43004765
2-[1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 39729008
1-[(2-methyl-3-nitrophenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 107810989
N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
N-[(2-methyl-3-nitrophenyl)carbamothioyl]-2-phenylacetamide
CID 916526
2-(4-ethylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 51178521
3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 63131107

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide (CID 43025525) is N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide is Cc1c(NC(=O)C2(c3ccccc3)CC2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is KFPSIKLFLBPSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-14(8-5-9-15(12)19(21)22)18-16(20)17(10-11-17)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide?
N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 43025525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).