3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide

C13H17FN2O2 — CID 113411988

IUPAC3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide
SMILESCOc1cc(F)cc(NC(=O)CC(N)C2CC2)c1
InChIInChI=1S/C13H17FN2O2/c1-18-11-5-9(14)4-10(6-11)16-13(17)7-12(15)8-2-3-8/h4-6,8,12H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyHMYSYRGWZRYLQW-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.90
Rot. Bonds5

About 3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide

3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide (PubChem CID 113411988) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide
PubChem CID113411988
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide
SMILESCOc1cc(F)cc(NC(=O)CC(N)C2CC2)c1
InChIInChI=1S/C13H17FN2O2/c1-18-11-5-9(14)4-10(6-11)16-13(17)7-12(15)8-2-3-8/h4-6,8,12H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyHMYSYRGWZRYLQW-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide
CID 130500039
3-cyclopropyl-3-(3-fluoro-5-methoxyphenyl)propanoic acid
CID 117348798
(2R)-2-amino-N-(3-fluoro-5-methoxyphenyl)pentanamide
CID 113264156
N-(3-fluoro-5-methoxyphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 114262457
(R)-cyclopropyl-(3-fluoro-5-methoxyphenyl)methanamine
CID 55278948
N-(4-acetamidophenyl)-3-cyclopropyl-3-(4-methoxyphenyl)propanamide
CID 110297406
4-amino-N-(3-fluoro-5-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 114263126
3-amino-4,4,4-trifluoro-N-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]butanamide
CID 143472844
N-(3,5-difluorophenyl)-3-methylbutanamide
CID 2987889
3-amino-3-cyclopropyl-1-(3,5-difluorophenyl)propan-1-one
CID 116608885
1-(3-chloro-5-fluorophenyl)-3-(3-fluoro-5-methoxyphenyl)urea
CID 172732018
3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one
CID 116608794

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide?
The IUPAC name of 3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide (CID 113411988) is 3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide?
The canonical SMILES for 3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide is COc1cc(F)cc(NC(=O)CC(N)C2CC2)c1.
What is the InChIKey of 3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide?
The InChIKey is HMYSYRGWZRYLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-11-5-9(14)4-10(6-11)16-13(17)7-12(15)8-2-3-8/h4-6,8,12H,2-3,7,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide?
3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide has a molecular weight of 252.29 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-N-(3-fluoro-5-methoxyphenyl)propanamide is sourced from PubChem (CID 113411988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).