N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide

C17H15ClN2O3 — CID 100789064

IUPACN-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H15ClN2O3/c1-11-2-5-13(18)10-15(11)19-16(21)17(8-9-17)12-3-6-14(7-4-12)20(22)23/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyWFMYZYVWQNRGOW-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.23
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide

N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide (PubChem CID 100789064) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
PubChem CID100789064
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC NameN-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C17H15ClN2O3/c1-11-2-5-13(18)10-15(11)19-16(21)17(8-9-17)12-3-6-14(7-4-12)20(22)23/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyWFMYZYVWQNRGOW-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

N-[2-methyl-5-(methylsulfamoyl)phenyl]-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100788948
N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100789060
N-(5-chloro-2-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 27445227
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
N-(5-chloro-2-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 113198728
1-(2,5-dichlorophenyl)-3-(2-methyl-5-nitrophenyl)urea
CID 5122789
1-(4-nitrophenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 100789042
2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide
CID 43004763
1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047
N-(5-chloro-2-methylphenyl)-12,15,15-trimethyl-6-nitro-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
CID 5172183
(4R)-N-(5-chloro-2-methylphenyl)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40572815
N-(4-bromo-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 112790088

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide (CID 100789064) is N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
The InChIKey is WFMYZYVWQNRGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-11-2-5-13(18)10-15(11)19-16(21)17(8-9-17)12-3-6-14(7-4-12)20(22)23/h2-7,10H,8-9H2,1H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide?
N-(5-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-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 100789064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).