N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide

C19H21ClFNO3 — CID 94393869

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1cc(CCC(=O)N(C)Cc2c(F)cccc2Cl)cc(OC)c1
InChIInChI=1S/C19H21ClFNO3/c1-22(12-16-17(20)5-4-6-18(16)21)19(23)8-7-13-9-14(24-2)11-15(10-13)25-3/h4-6,9-11H,7-8,12H2,1-3H3
InChIKeyFFCJASVRWHNSAO-UHFFFAOYSA-N
MW365.83 g/mol
LogP4.09
Rot. Bonds7

About N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide

N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide (PubChem CID 94393869) has the molecular formula C19H21ClFNO3 and a molecular weight of 365.83 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
PubChem CID94393869
Molecular FormulaC19H21ClFNO3
Molecular Weight365.83 g/mol
Exact Mass365.12
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1cc(CCC(=O)N(C)Cc2c(F)cccc2Cl)cc(OC)c1
InChIInChI=1S/C19H21ClFNO3/c1-22(12-16-17(20)5-4-6-18(16)21)19(23)8-7-13-9-14(24-2)11-15(10-13)25-3/h4-6,9-11H,7-8,12H2,1-3H3
InChIKeyFFCJASVRWHNSAO-UHFFFAOYSA-N
XLogP4.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
N-[(2-chloro-6-fluorophenyl)methyl]-3-(1H-indol-5-yl)-N-methylpropanamide
CID 75444329
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 60936879
2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 18189527
phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate
CID 60628603
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 2450064
2-(2-chloro-4-fluorophenoxy)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 112778718
N-[3-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18168559
[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 55315127

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide (CID 94393869) is N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide is COc1cc(CCC(=O)N(C)Cc2c(F)cccc2Cl)cc(OC)c1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The InChIKey is FFCJASVRWHNSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO3/c1-22(12-16-17(20)5-4-6-18(16)21)19(23)8-7-13-9-14(24-2)11-15(10-13)25-3/h4-6,9-11H,7-8,12H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide has a molecular weight of 365.83 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 94393869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).