2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide

C11H11Cl2NO — CID 16624359

IUPAC2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C11H11Cl2NO/c1-10(7-11(10,12)13)9(15)14-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyTZHYTOXMUPSNTR-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.21
Rot. Bonds2

About 2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide (PubChem CID 16624359) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide
PubChem CID16624359
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C11H11Cl2NO/c1-10(7-11(10,12)13)9(15)14-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyTZHYTOXMUPSNTR-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]benzamide
CID 26636437
2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 17071382
2,2-dichloro-N-[3-(cyclopropanecarbonylamino)phenyl]-1-methylcyclopropane-1-carboxamide
CID 46570320
(1R)-N-(1-benzylpyrazol-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 7770311
1-chloro-N-phenylcyclopropane-1-carboxamide
CID 130016520
trans-(3S,5S)-1,3,5-trimethyl-3,5-bis(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 101246835
N-cyclopropyl-3-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]benzamide
CID 46536638
methyl 2-[4-[[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]phenoxy]acetate
CID 51983589
2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
CID 42910446
2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide
CID 42910477
2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide
CID 42938996
methyl 2,2-dichloro-1-methyl-N-(phenylcarbamoyloxy)cyclopropane-1-carboximidothioate
CID 173422147

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide (CID 16624359) is 2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide is CC1(C(=O)Nc2ccccc2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide?
The InChIKey is TZHYTOXMUPSNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO/c1-10(7-11(10,12)13)9(15)14-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide has a molecular weight of 244.12 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 16624359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).