N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide

C14H17Cl2NO2 — CID 74233036

IUPACN-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide
SMILESCOCC1(C(=O)NCc2c(C)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H17Cl2NO2/c1-9-5-10(15)6-12(16)11(9)7-17-13(18)14(3-4-14)8-19-2/h5-6H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyPJGTVCDKWRMECQ-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.34
Rot. Bonds5

About N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide

N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide (PubChem CID 74233036) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide
PubChem CID74233036
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC NameN-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide
SMILESCOCC1(C(=O)NCc2c(C)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H17Cl2NO2/c1-9-5-10(15)6-12(16)11(9)7-17-13(18)14(3-4-14)8-19-2/h5-6H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyPJGTVCDKWRMECQ-UHFFFAOYSA-N
XLogP3.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)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

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide (CID 74233036) is N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide is COCC1(C(=O)NCc2c(C)cc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide?
The InChIKey is PJGTVCDKWRMECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-9-5-10(15)6-12(16)11(9)7-17-13(18)14(3-4-14)8-19-2/h5-6H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide?
N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-6-methylphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 74233036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).