2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide

C12H12Cl2N2O3 — CID 43004763

IUPAC2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C12H12Cl2N2O3/c1-7-3-4-8(16(18)19)5-9(7)15-10(17)11(2)6-12(11,13)14/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyPNBCSCFXGKHZMF-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.43
Rot. Bonds3

About 2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide (PubChem CID 43004763) has the molecular formula C12H12Cl2N2O3 and a molecular weight of 303.15 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide
PubChem CID43004763
Molecular FormulaC12H12Cl2N2O3
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC Name2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C12H12Cl2N2O3/c1-7-3-4-8(16(18)19)5-9(7)15-10(17)11(2)6-12(11,13)14/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyPNBCSCFXGKHZMF-UHFFFAOYSA-N
XLogP3.43
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide
CID 43004765
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
trans-(1R,2R)-3-methylidene-1-N,2-N-bis(2-methyl-5-nitrophenyl)cyclopropane-1,2-dicarboxamide
CID 2327600
2-amino-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopentane-1-carboxamide
CID 82765923
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134
1-(2-methyl-5-nitrophenyl)-3-(2-methylphenyl)urea
CID 19165614
4-(chloromethyl)-N-(2-methyl-5-nitrophenyl)benzamide
CID 22291073
(15S)-15-methyl-N-(2-methyl-5-nitrophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1041608
N-(5-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100789064
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
(2-methyl-5-nitroanilino)carbamic acid
CID 174219510

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide (CID 43004763) is 2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide?
The InChIKey is PNBCSCFXGKHZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3/c1-7-3-4-8(16(18)19)5-9(7)15-10(17)11(2)6-12(11,13)14/h3-5H,6H2,1-2H3,(H,15,17).
What are the key properties of 2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide has a molecular weight of 303.15 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 43004763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).