2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide

C12H12Cl2N2O3 — CID 43004765

IUPAC2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide
SMILESCc1c(NC(=O)C2(C)CC2(Cl)Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H12Cl2N2O3/c1-7-8(4-3-5-9(7)16(18)19)15-10(17)11(2)6-12(11,13)14/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyKERDFMAXWODOOT-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.43
Rot. Bonds3

About 2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide (PubChem CID 43004765) 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-3-nitrophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide
PubChem CID43004765
Molecular FormulaC12H12Cl2N2O3
Molecular Weight303.15 g/mol
Exact Mass302.02
IUPAC Name2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide
SMILESCc1c(NC(=O)C2(C)CC2(Cl)Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H12Cl2N2O3/c1-7-8(4-3-5-9(7)16(18)19)15-10(17)11(2)6-12(11,13)14/h3-5H,6H2,1-2H3,(H,15,17)
InChIKeyKERDFMAXWODOOT-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

N-(2-methyl-3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 43025525
2,2-dichloro-1-methyl-N-(2-methyl-5-nitrophenyl)cyclopropane-1-carboxamide
CID 43004763
(2-methyl-3-nitrophenyl)urea
CID 22416531
2,2-dimethyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 4927442
3-ethyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 63131107
4-methyl-N-(2-methyl-3-nitrophenyl)piperidin-4-amine
CID 114697177
N-(2-methyl-3-nitrophenyl)hydroxylamine
CID 5489549
N-[(2-methyl-3-nitrophenyl)carbamoyl]formamide
CID 174454415
(E)-N-(2-methyl-3-nitrophenyl)but-2-enamide
CID 110459718
N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 675560
1-methyl-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42956829
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide (CID 43004765) is 2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide is Cc1c(NC(=O)C2(C)CC2(Cl)Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2,2-dichloro-1-methyl-N-(2-methyl-3-nitrophenyl)cyclopropane-1-carboxamide?
The InChIKey is KERDFMAXWODOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3/c1-7-8(4-3-5-9(7)16(18)19)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-3-nitrophenyl)cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-(2-methyl-3-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-3-nitrophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 43004765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).