2-amino-3-(4-fluoro-2-methoxyanilino)propanamide

C10H14FN3O2 — CID 103245523

IUPAC2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
SMILESCOc1cc(F)ccc1NCC(N)C(N)=O
InChIInChI=1S/C10H14FN3O2/c1-16-9-4-6(11)2-3-8(9)14-5-7(12)10(13)15/h2-4,7,14H,5,12H2,1H3,(H2,13,15)
InChIKeyHXVCRXKALLGJMF-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.06
Rot. Bonds5

About 2-amino-3-(4-fluoro-2-methoxyanilino)propanamide

2-amino-3-(4-fluoro-2-methoxyanilino)propanamide (PubChem CID 103245523) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-amino-3-(4-fluoro-2-methoxyanilino)propanamide.

Molecular Properties

Compound Name2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
PubChem CID103245523
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
SMILESCOc1cc(F)ccc1NCC(N)C(N)=O
InChIInChI=1S/C10H14FN3O2/c1-16-9-4-6(11)2-3-8(9)14-5-7(12)10(13)15/h2-4,7,14H,5,12H2,1H3,(H2,13,15)
InChIKeyHXVCRXKALLGJMF-UHFFFAOYSA-N
XLogP0.06
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-(4-fluoro-2-methoxyanilino)propanoate
CID 103245525
2-amino-3-(2,5-difluoroanilino)propanamide
CID 103232837
2-(4-fluoro-2-methoxyanilino)butanamide
CID 62900802
2-(4-fluoro-2-methoxyanilino)propanamide
CID 47165201
N-(2-ethylbutyl)-4-fluoro-2-methoxyaniline
CID 60961963
1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929657
2-amino-3-(2,3,4-trifluoroanilino)propanamide
CID 103232798
2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide
CID 107471938
(2R)-2-amino-N-(4-fluoro-2-methoxyphenyl)-3-methylbutanamide
CID 79013529
2-amino-3-(4-methoxy-3-methylanilino)propanamide
CID 103243682
(2S)-2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methylsulfanylbutanamide
CID 54967553
1-N-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 115196243

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluoro-2-methoxyanilino)propanamide?
The IUPAC name of 2-amino-3-(4-fluoro-2-methoxyanilino)propanamide (CID 103245523) is 2-amino-3-(4-fluoro-2-methoxyanilino)propanamide.
What is the SMILES notation for 2-amino-3-(4-fluoro-2-methoxyanilino)propanamide?
The canonical SMILES for 2-amino-3-(4-fluoro-2-methoxyanilino)propanamide is COc1cc(F)ccc1NCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(4-fluoro-2-methoxyanilino)propanamide?
The InChIKey is HXVCRXKALLGJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-16-9-4-6(11)2-3-8(9)14-5-7(12)10(13)15/h2-4,7,14H,5,12H2,1H3,(H2,13,15).
What are the key properties of 2-amino-3-(4-fluoro-2-methoxyanilino)propanamide?
2-amino-3-(4-fluoro-2-methoxyanilino)propanamide has a molecular weight of 227.24 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluoro-2-methoxyanilino)propanamide is sourced from PubChem (CID 103245523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).