N-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide

C14H19FN2O3 — CID 130394504

IUPACN-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide
SMILESCOc1ccc(CC(C)NC(=O)C(C)NC=O)c(F)c1
InChIInChI=1S/C14H19FN2O3/c1-9(17-14(19)10(2)16-8-18)6-11-4-5-12(20-3)7-13(11)15/h4-5,7-10H,6H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyKZJZYRGUEHSFOT-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.02
Rot. Bonds7

About N-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide

N-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide (PubChem CID 130394504) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide
PubChem CID130394504
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC NameN-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide
SMILESCOc1ccc(CC(C)NC(=O)C(C)NC=O)c(F)c1
InChIInChI=1S/C14H19FN2O3/c1-9(17-14(19)10(2)16-8-18)6-11-4-5-12(20-3)7-13(11)15/h4-5,7-10H,6H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyKZJZYRGUEHSFOT-UHFFFAOYSA-N
XLogP1.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[(2-fluoro-4-methoxyphenyl)methyl]propanedioate
CID 102880094
3-[(2-fluoro-4-methoxyphenyl)methylsulfanyl]-2-formamidopropanoic acid
CID 102876891
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-2,4-dimethoxybenzamide
CID 94474380
3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 103396765
methyl 3-(2-fluoro-4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 135238999
3-[[2-(2-fluoro-4-methoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 110834507
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 103757279
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119802030
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
CID 102883068
1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol
CID 102878488
N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide
CID 91727190
1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone
CID 159564102

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide?
The IUPAC name of N-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide (CID 130394504) is N-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide.
What is the SMILES notation for N-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide?
The canonical SMILES for N-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide is COc1ccc(CC(C)NC(=O)C(C)NC=O)c(F)c1.
What is the InChIKey of N-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide?
The InChIKey is KZJZYRGUEHSFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-9(17-14(19)10(2)16-8-18)6-11-4-5-12(20-3)7-13(11)15/h4-5,7-10H,6H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide?
N-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide has a molecular weight of 282.31 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-methoxyphenyl)propan-2-yl]-2-formamidopropanamide is sourced from PubChem (CID 130394504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).