1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide

C20H22ClNO4 — CID 86925548

IUPAC1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C20H22ClNO4/c1-24-16-9-4-13(17(25-2)18(16)26-3)12-22-19(23)20(10-11-20)14-5-7-15(21)8-6-14/h4-9H,10-12H2,1-3H3,(H,22,23)
InChIKeyDLGKHOFNJGUMBE-UHFFFAOYSA-N
MW375.85 g/mol
LogP3.71
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 86925548) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID86925548
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C20H22ClNO4/c1-24-16-9-4-13(17(25-2)18(16)26-3)12-22-19(23)20(10-11-20)14-5-7-15(21)8-6-14/h4-9H,10-12H2,1-3H3,(H,22,23)
InChIKeyDLGKHOFNJGUMBE-UHFFFAOYSA-N
XLogP3.71
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]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

1-(4-tert-butylphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 86885316
1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119285335
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 52526472
N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113198580
2,2,2-trichloro-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 67538566
5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 86925580
1-(4-chlorophenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 38536765
1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]cyclopropane-1-carboxamide
CID 3853433
N-[(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198405
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
CID 119285338
1-amino-N-[(4-chloro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119779146

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide (CID 86925548) is 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide is COc1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)c(OC)c1OC.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is DLGKHOFNJGUMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-24-16-9-4-13(17(25-2)18(16)26-3)12-22-19(23)20(10-11-20)14-5-7-15(21)8-6-14/h4-9H,10-12H2,1-3H3,(H,22,23).
What are the key properties of 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 375.85 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86925548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).