2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide

C14H17Cl2NO — CID 51164492

IUPAC2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccccc1C(C)NC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C14H17Cl2NO/c1-9-6-4-5-7-11(9)10(2)17-12(18)13(3)8-14(13,15)16/h4-7,10H,8H2,1-3H3,(H,17,18)
InChIKeyRPRHCRWFAWLSOL-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.76
Rot. Bonds3

About 2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 51164492) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID51164492
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCc1ccccc1C(C)NC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C14H17Cl2NO/c1-9-6-4-5-7-11(9)10(2)17-12(18)13(3)8-14(13,15)16/h4-7,10H,8H2,1-3H3,(H,17,18)
InChIKeyRPRHCRWFAWLSOL-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dichloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 51297991
2-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81379976
1-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]cyclopentane-1-carboxamide
CID 55037857
4-amino-N-[1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115294658
4-amino-N-[(1S)-1-(2-methylphenyl)ethyl]oxane-4-carboxamide
CID 115295233
(1R)-2,2-dichloro-1-methyl-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclopropane-1-carboxamide
CID 38917375
1-cyano-3-methyl-N-[1-(2-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 80502059
methyl N-[1-(2-methylphenyl)ethyl]carbamate
CID 112683657
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81380051
N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide
CID 81374722
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide (CID 51164492) is 2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide is Cc1ccccc1C(C)NC(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is RPRHCRWFAWLSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-9-6-4-5-7-11(9)10(2)17-12(18)13(3)8-14(13,15)16/h4-7,10H,8H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 286.20 g/mol, XLogP of 3.76, 3 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-[1-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 51164492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).