(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide

C18H21FN2O2 — CID 119306372

IUPAC(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(Cc2ccc(F)cc2)NC(=O)[C@H](C)N)cc1
InChIInChI=1S/C18H21FN2O2/c1-12(20)18(22)21-17(11-13-3-7-15(19)8-4-13)14-5-9-16(23-2)10-6-14/h3-10,12,17H,11,20H2,1-2H3,(H,21,22)/t12-,17?/m0/s1
InChIKeyDSNLPRMMFYLEPY-WHUIICBVSA-N
MW316.38 g/mol
LogP2.58
Rot. Bonds6

About (2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide

(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 119306372) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
PubChem CID119306372
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(Cc2ccc(F)cc2)NC(=O)[C@H](C)N)cc1
InChIInChI=1S/C18H21FN2O2/c1-12(20)18(22)21-17(11-13-3-7-15(19)8-4-13)14-5-9-16(23-2)10-6-14/h3-10,12,17H,11,20H2,1-2H3,(H,21,22)/t12-,17?/m0/s1
InChIKeyDSNLPRMMFYLEPY-WHUIICBVSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 120561463
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
3-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide
CID 119306374
(2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38928242
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
N-(3,4-difluorophenyl)-N'-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]oxamide
CID 97000116
(2S)-2-amino-N-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethyl]propanamide
CID 119317321
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92685363
N-[1,2-bis(4-methoxyphenyl)ethyl]-3-(2-fluorophenyl)propanamide
CID 46820318
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide
CID 43060292
1-(cyclopropylmethyl)-1-ethyl-3-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]urea
CID 86940449

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide (CID 119306372) is (2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(C(Cc2ccc(F)cc2)NC(=O)[C@H](C)N)cc1.
What is the InChIKey of (2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is DSNLPRMMFYLEPY-WHUIICBVSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12(20)18(22)21-17(11-13-3-7-15(19)8-4-13)14-5-9-16(23-2)10-6-14/h3-10,12,17H,11,20H2,1-2H3,(H,21,22)/t12-,17?/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide?
(2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 316.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 119306372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).