2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide

C20H24ClFN2O2 — CID 24506938

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N(C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C20H24ClFN2O2/c1-14(24(2)13-17-18(21)5-4-6-19(17)22)20(25)23-12-11-15-7-9-16(26-3)10-8-15/h4-10,14H,11-13H2,1-3H3,(H,23,25)
InChIKeyMBRWTTKPFOGHFZ-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.67
Rot. Bonds8

About 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 24506938) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID24506938
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N(C)Cc2c(F)cccc2Cl)cc1
InChIInChI=1S/C20H24ClFN2O2/c1-14(24(2)13-17-18(21)5-4-6-19(17)22)20(25)23-12-11-15-7-9-16(26-3)10-8-15/h4-10,14H,11-13H2,1-3H3,(H,23,25)
InChIKeyMBRWTTKPFOGHFZ-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide 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-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide
CID 17475859
2-(2-chloro-6-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7769079
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2243188
(2R)-2-[(2-chlorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8541611
2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 126013513
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100624577
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24507139
2-chloro-6-fluoro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 110288651
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 55524827
2-fluoro-6-hydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 104916422
1-chloro-2-[2-chloro-4-(4-methoxyphenyl)butyl]-3-fluorobenzene
CID 63518991
2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133149813

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 24506938) is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)C(C)N(C)Cc2c(F)cccc2Cl)cc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is MBRWTTKPFOGHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O2/c1-14(24(2)13-17-18(21)5-4-6-19(17)22)20(25)23-12-11-15-7-9-16(26-3)10-8-15/h4-10,14H,11-13H2,1-3H3,(H,23,25).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 378.88 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 24506938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).