N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide

C15H23FN2O2 — CID 111488702

IUPACN-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide
SMILESCc1ccc(NC(=O)C(C)N(C)CCC(C)O)cc1F
InChIInChI=1S/C15H23FN2O2/c1-10-5-6-13(9-14(10)16)17-15(20)12(3)18(4)8-7-11(2)19/h5-6,9,11-12,19H,7-8H2,1-4H3,(H,17,20)
InChIKeyRLZYZDFRJDPCMM-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.16
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide

N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide (PubChem CID 111488702) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide
PubChem CID111488702
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide
SMILESCc1ccc(NC(=O)C(C)N(C)CCC(C)O)cc1F
InChIInChI=1S/C15H23FN2O2/c1-10-5-6-13(9-14(10)16)17-15(20)12(3)18(4)8-7-11(2)19/h5-6,9,11-12,19H,7-8H2,1-4H3,(H,17,20)
InChIKeyRLZYZDFRJDPCMM-UHFFFAOYSA-N
XLogP2.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide
CID 111496932
2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)propanamide
CID 24664447
N-(3,4-difluorophenyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 24506649
2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913099
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
N-(3,4-difluorophenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 46563659
(2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30956481
3-fluoro-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 111695800
N-(3-fluoro-4-methylphenyl)-2,2-diphenylacetamide
CID 676006
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30904982
(2S)-2-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 103830895
(2R)-N-(4-chlorophenyl)-2-[[(2R)-2-hydroxypropyl]-methylamino]propanamide
CID 124732754

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide (CID 111488702) is N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide is Cc1ccc(NC(=O)C(C)N(C)CCC(C)O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide?
The InChIKey is RLZYZDFRJDPCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10-5-6-13(9-14(10)16)17-15(20)12(3)18(4)8-7-11(2)19/h5-6,9,11-12,19H,7-8H2,1-4H3,(H,17,20).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide?
N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide has a molecular weight of 282.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide is sourced from PubChem (CID 111488702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).