(2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide

C14H21FN2O — CID 95262158

IUPAC(2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide
SMILESCCCN(C)[C@@H](C)C(=O)NCc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-4-9-17(3)11(2)14(18)16-10-12-7-5-6-8-13(12)15/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyZGUDCAZHHXPTIY-NSHDSACASA-N
MW252.33 g/mol
LogP2.17
Rot. Bonds6

About (2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide

(2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide (PubChem CID 95262158) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide
PubChem CID95262158
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide
SMILESCCCN(C)[C@@H](C)C(=O)NCc1ccccc1F
InChIInChI=1S/C14H21FN2O/c1-4-9-17(3)11(2)14(18)16-10-12-7-5-6-8-13(12)15/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyZGUDCAZHHXPTIY-NSHDSACASA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109397881
3-[(2-fluorophenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897168
N-[(2-chlorophenyl)methyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]propanamide
CID 18094687
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53285802
(2S)-2-amino-N-[(2-fluorophenyl)methyl]butanamide
CID 79025489
N'-butyl-N-[(2-fluorophenyl)methyl]-N'-methyloxamide
CID 108528538
N-[3-(dimethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524813
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 86931168
2-[(2-fluorophenyl)methylamino]-N,N-dipropylacetamide
CID 108997535
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
N-[3-(diethylamino)propyl]-N'-[(2-fluorophenyl)methyl]oxamide
CID 108524698
methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate
CID 61036324

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide?
The IUPAC name of (2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide (CID 95262158) is (2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide.
What is the SMILES notation for (2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide?
The canonical SMILES for (2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide is CCCN(C)[C@@H](C)C(=O)NCc1ccccc1F.
What is the InChIKey of (2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide?
The InChIKey is ZGUDCAZHHXPTIY-NSHDSACASA-N. The full InChI is InChI=1S/C14H21FN2O/c1-4-9-17(3)11(2)14(18)16-10-12-7-5-6-8-13(12)15/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide?
(2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide has a molecular weight of 252.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-fluorophenyl)methyl]-2-[methyl(propyl)amino]propanamide is sourced from PubChem (CID 95262158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).