N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide

C15H23FN2O2 — CID 79200604

IUPACN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-10(2)18(4)14-7-6-12(9-13(14)16)17-15(20)8-5-11(3)19/h6-7,9-11,19H,5,8H2,1-4H3,(H,17,20)
InChIKeyYQLLQPDTPUWWOZ-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.77
Rot. Bonds6

About N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide

N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide (PubChem CID 79200604) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide
PubChem CID79200604
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-10(2)18(4)14-7-6-12(9-13(14)16)17-15(20)8-5-11(3)19/h6-7,9-11,19H,5,8H2,1-4H3,(H,17,20)
InChIKeyYQLLQPDTPUWWOZ-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]-2-oxoethoxy]acetic acid
CID 61327848
ethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 61063654
2-(azetidin-3-yl)-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]acetamide
CID 64618160
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(2-hydroxyethyl)urea
CID 110894229
2,2,2-trifluoroethyl N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]carbamate
CID 65168946
2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-methylbutanamide
CID 79796549
(2S)-2-amino-N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-methylpentanamide
CID 61173891
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453091
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 94094576
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-[1-(3-methoxy-4-pyridinyl)ethylamino]propanamide
CID 166236831
1-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926029
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79192606

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide?
The IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide (CID 79200604) is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide?
The canonical SMILES for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide is CC(O)CCC(=O)Nc1ccc(N(C)C(C)C)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide?
The InChIKey is YQLLQPDTPUWWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(2)18(4)14-7-6-12(9-13(14)16)17-15(20)8-5-11(3)19/h6-7,9-11,19H,5,8H2,1-4H3,(H,17,20).
What are the key properties of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide?
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide has a molecular weight of 282.36 g/mol, XLogP of 2.77, 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-[methyl(propan-2-yl)amino]phenyl]-4-hydroxypentanamide is sourced from PubChem (CID 79200604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).