(2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide

C24H24FNO3 — CID 166439731

IUPAC(2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide
SMILESCOc1ccccc1C(NC(=O)[C@@H](C)c1ccc(F)cc1)c1ccccc1OC
InChIInChI=1S/C24H24FNO3/c1-16(17-12-14-18(25)15-13-17)24(27)26-23(19-8-4-6-10-21(19)28-2)20-9-5-7-11-22(20)29-3/h4-16,23H,1-3H3,(H,26,27)/t16-/m0/s1
InChIKeyCVKOLZRHIJKSAZ-INIZCTEOSA-N
MW393.46 g/mol
LogP4.85
Rot. Bonds7

About (2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide

(2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide (PubChem CID 166439731) has the molecular formula C24H24FNO3 and a molecular weight of 393.46 g/mol. Its IUPAC name is (2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide
PubChem CID166439731
Molecular FormulaC24H24FNO3
Molecular Weight393.46 g/mol
Exact Mass393.17
IUPAC Name(2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide
SMILESCOc1ccccc1C(NC(=O)[C@@H](C)c1ccc(F)cc1)c1ccccc1OC
InChIInChI=1S/C24H24FNO3/c1-16(17-12-14-18(25)15-13-17)24(27)26-23(19-8-4-6-10-21(19)28-2)20-9-5-7-11-22(20)29-3/h4-16,23H,1-3H3,(H,26,27)/t16-/m0/s1
InChIKeyCVKOLZRHIJKSAZ-INIZCTEOSA-N
XLogP4.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide
CID 175348426
N-[bis(2-methoxyphenyl)methyl]-2-(4-methoxyphenyl)propanamide
CID 175079399
ethyl 4-[(2R)-1-[bis(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzoate
CID 175072041
(2R)-N-[bis(2-methoxyphenyl)methyl]-2-(3-methoxyphenyl)propanamide
CID 175077075
2,2-difluoro-N-[(R)-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 100703367
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 99132204
1-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-3-(2-methoxyphenyl)urea
CID 95979768
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132356
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132357
2-(4-fluorophenyl)-N'-methylpropanehydrazide
CID 116846978

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide?
The IUPAC name of (2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide (CID 166439731) is (2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide is COc1ccccc1C(NC(=O)[C@@H](C)c1ccc(F)cc1)c1ccccc1OC.
What is the InChIKey of (2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide?
The InChIKey is CVKOLZRHIJKSAZ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H24FNO3/c1-16(17-12-14-18(25)15-13-17)24(27)26-23(19-8-4-6-10-21(19)28-2)20-9-5-7-11-22(20)29-3/h4-16,23H,1-3H3,(H,26,27)/t16-/m0/s1.
What are the key properties of (2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide?
(2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide has a molecular weight of 393.46 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[bis(2-methoxyphenyl)methyl]-2-(4-fluorophenyl)propanamide is sourced from PubChem (CID 166439731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).