(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide

C18H21FN2O — CID 8830029

IUPAC(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
SMILESCCc1ccc([C@H](N[C@@H](C)C(N)=O)c2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O/c1-3-13-7-9-14(10-8-13)17(21-12(2)18(20)22)15-5-4-6-16(19)11-15/h4-12,17,21H,3H2,1-2H3,(H2,20,22)/t12-,17-/m0/s1
InChIKeyKPDFSDRKXGPGKM-SJCJKPOMSA-N
MW300.38 g/mol
LogP2.94
Rot. Bonds6

About (2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide

(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide (PubChem CID 8830029) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is (2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
PubChem CID8830029
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
SMILESCCc1ccc([C@H](N[C@@H](C)C(N)=O)c2cccc(F)c2)cc1
InChIInChI=1S/C18H21FN2O/c1-3-13-7-9-14(10-8-13)17(21-12(2)18(20)22)15-5-4-6-16(19)11-15/h4-12,17,21H,3H2,1-2H3,(H2,20,22)/t12-,17-/m0/s1
InChIKeyKPDFSDRKXGPGKM-SJCJKPOMSA-N
XLogP2.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8829973
2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981
N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8719979
N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8720043
[(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea
CID 1356900
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042
2-(ethylamino)-2-(3-fluorophenyl)acetamide
CID 60786563
2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide
CID 61023640
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butanamide
CID 81365724
1-ethyl-3-[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]thiourea
CID 9098097
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8830016
N-[(4-ethylphenyl)-(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16600799

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide?
The IUPAC name of (2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide (CID 8830029) is (2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide?
The canonical SMILES for (2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide is CCc1ccc([C@H](N[C@@H](C)C(N)=O)c2cccc(F)c2)cc1.
What is the InChIKey of (2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide?
The InChIKey is KPDFSDRKXGPGKM-SJCJKPOMSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-3-13-7-9-14(10-8-13)17(21-12(2)18(20)22)15-5-4-6-16(19)11-15/h4-12,17,21H,3H2,1-2H3,(H2,20,22)/t12-,17-/m0/s1.
What are the key properties of (2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide?
(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide has a molecular weight of 300.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide is sourced from PubChem (CID 8830029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).