N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide

C17H15ClN2O3 — CID 100789060

IUPACN-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H15ClN2O3/c1-11-14(18)3-2-4-15(11)19-16(21)17(9-10-17)12-5-7-13(8-6-12)20(22)23/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyINCPJDRSTBJDLM-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.23
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide

N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide (PubChem CID 100789060) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
PubChem CID100789060
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H15ClN2O3/c1-11-14(18)3-2-4-15(11)19-16(21)17(9-10-17)12-5-7-13(8-6-12)20(22)23/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyINCPJDRSTBJDLM-UHFFFAOYSA-N
XLogP4.23
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.23
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-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913116
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100789064
N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 43025525
1-(4-nitrophenyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
CID 100789159
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 100789042
N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 17148154
N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100788948
1-(4-bromophenyl)-N-(2,3-dichlorophenyl)cyclopropane-1-carboxamide
CID 52555511
N-(3-nitrophenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 3120388
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6030367

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide (CID 100789060) is N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide is Cc1c(Cl)cccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
The InChIKey is INCPJDRSTBJDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-11-14(18)3-2-4-15(11)19-16(21)17(9-10-17)12-5-7-13(8-6-12)20(22)23/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide has a molecular weight of 330.77 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100789060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).