N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide

C17H17ClFNO3 — CID 9404697

IUPACN-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(F)c(Cl)c2)c1OC
InChIInChI=1S/C17H17ClFNO3/c1-22-15-5-3-4-11(17(15)23-2)6-9-16(21)20-12-7-8-14(19)13(18)10-12/h3-5,7-8,10H,6,9H2,1-2H3,(H,20,21)
InChIKeyYRTNAQVLCHISCM-UHFFFAOYSA-N
MW337.78 g/mol
LogP4.07
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide

N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide (PubChem CID 9404697) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide
PubChem CID9404697
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2ccc(F)c(Cl)c2)c1OC
InChIInChI=1S/C17H17ClFNO3/c1-22-15-5-3-4-11(17(15)23-2)6-9-16(21)20-12-7-8-14(19)13(18)10-12/h3-5,7-8,10H,6,9H2,1-2H3,(H,20,21)
InChIKeyYRTNAQVLCHISCM-UHFFFAOYSA-N
XLogP4.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9427530
N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2683148
3-(2,3-dimethoxyphenyl)-N-(3-methylsulfonylphenyl)propanamide
CID 9072555
3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
CID 9020974
3-(2,3-dimethoxyphenyl)-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]propanamide
CID 55815444
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113128810
3-(2,3-dimethoxyphenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 24563112
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(difluoromethoxy)-3-methoxybenzoate
CID 55326292
3-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55362952
3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 38939923
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide (CID 9404697) is N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide is COc1cccc(CCC(=O)Nc2ccc(F)c(Cl)c2)c1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide?
The InChIKey is YRTNAQVLCHISCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-22-15-5-3-4-11(17(15)23-2)6-9-16(21)20-12-7-8-14(19)13(18)10-12/h3-5,7-8,10H,6,9H2,1-2H3,(H,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide?
N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide has a molecular weight of 337.78 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide is sourced from PubChem (CID 9404697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).