N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide

C14H19FN2O — CID 105371388

IUPACN-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide
SMILESCc1ccc(F)cc1CNC(C)C(=O)NC1CC1
InChIInChI=1S/C14H19FN2O/c1-9-3-4-12(15)7-11(9)8-16-10(2)14(18)17-13-5-6-13/h3-4,7,10,13,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyIYLRERVZULQSAO-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.89
Rot. Bonds5

About N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide

N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide (PubChem CID 105371388) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide
PubChem CID105371388
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide
SMILESCc1ccc(F)cc1CNC(C)C(=O)NC1CC1
InChIInChI=1S/C14H19FN2O/c1-9-3-4-12(15)7-11(9)8-16-10(2)14(18)17-13-5-6-13/h3-4,7,10,13,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyIYLRERVZULQSAO-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115967889
N-cyclopentyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647813
N-cyclohexyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647843
N-cyclopropyl-2-[(2-methoxyphenyl)methylamino]propanamide
CID 43086271
N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103108692
N-cyclopropyl-2-[(2,6-dimethylphenyl)methylamino]propanamide
CID 112700004
2-[(2,5-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057988
N-[(5-fluoro-2-methylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103944162
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine
CID 103943652
N-cyclopropyl-2-(2,5-difluoroanilino)propanamide
CID 43083939

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide (CID 105371388) is N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide is Cc1ccc(F)cc1CNC(C)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide?
The InChIKey is IYLRERVZULQSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-3-4-12(15)7-11(9)8-16-10(2)14(18)17-13-5-6-13/h3-4,7,10,13,16H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide?
N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide has a molecular weight of 250.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 105371388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).