2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide

C12H17FN2O2 — CID 115152372

IUPAC2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)C(C)N)cc1F
InChIInChI=1S/C12H17FN2O2/c1-3-17-11-5-4-9(6-10(11)13)7-15-12(16)8(2)14/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyNWQSIDPDCTUJGT-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.19
Rot. Bonds5

About 2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide

2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide (PubChem CID 115152372) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
PubChem CID115152372
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)C(C)N)cc1F
InChIInChI=1S/C12H17FN2O2/c1-3-17-11-5-4-9(6-10(11)13)7-15-12(16)8(2)14/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyNWQSIDPDCTUJGT-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea
CID 110775057
2-amino-4-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 112518372
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide
CID 119730114
4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 98033360
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119730113
2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide
CID 115259899
(E)-4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 115177207
2-amino-N-[3-(2,4-difluorophenoxy)propyl]propanamide
CID 112509123
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride
CID 119280875
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455
2-amino-1-(4-ethoxy-3-fluorophenyl)propan-1-one
CID 82284127

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide (CID 115152372) is 2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide is CCOc1ccc(CNC(=O)C(C)N)cc1F.
What is the InChIKey of 2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide?
The InChIKey is NWQSIDPDCTUJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-3-17-11-5-4-9(6-10(11)13)7-15-12(16)8(2)14/h4-6,8H,3,7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide?
2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide has a molecular weight of 240.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 115152372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).