N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide

C19H22FNO3 — CID 9478271

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)CCc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO3/c1-13(17-12-16(23-2)9-10-18(17)24-3)21-19(22)11-6-14-4-7-15(20)8-5-14/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyGBDFJOSBDOLEKO-ZDUSSCGKSA-N
MW331.39 g/mol
LogP3.65
Rot. Bonds7

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide (PubChem CID 9478271) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
PubChem CID9478271
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)CCc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO3/c1-13(17-12-16(23-2)9-10-18(17)24-3)21-19(22)11-6-14-4-7-15(20)8-5-14/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,21,22)/t13-/m0/s1
InChIKeyGBDFJOSBDOLEKO-ZDUSSCGKSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 31948443
3-(3,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133219990
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46664023
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylphenyl)propanamide
CID 51277021
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 42886980
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 85020010
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272702
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 9477708

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide (CID 9478271) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide is COc1ccc(OC)c([C@H](C)NC(=O)CCc2ccc(F)cc2)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide?
The InChIKey is GBDFJOSBDOLEKO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-13(17-12-16(23-2)9-10-18(17)24-3)21-19(22)11-6-14-4-7-15(20)8-5-14/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,21,22)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide has a molecular weight of 331.39 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 9478271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).