N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide

C13H15FN2O2 — CID 79200626

IUPACN-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)CCC(C)O
InChIInChI=1S/C13H15FN2O2/c1-8(17)3-4-13(18)16-12-6-10(7-15)5-11(14)9(12)2/h5-6,8,17H,3-4H2,1-2H3,(H,16,18)
InChIKeySECQBULGWGHVAF-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.11
Rot. Bonds4

About N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide

N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide (PubChem CID 79200626) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide.

Molecular Properties

Compound NameN-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide
PubChem CID79200626
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC NameN-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide
SMILESCc1c(F)cc(C#N)cc1NC(=O)CCC(C)O
InChIInChI=1S/C13H15FN2O2/c1-8(17)3-4-13(18)16-12-6-10(7-15)5-11(14)9(12)2/h5-6,8,17H,3-4H2,1-2H3,(H,16,18)
InChIKeySECQBULGWGHVAF-UHFFFAOYSA-N
XLogP2.11
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-cyano-3-fluoro-2-methylphenyl)butanamide
CID 60841231
5-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)pentanamide
CID 114014772
6-amino-N-(5-cyano-3-fluoro-2-methylphenyl)hexanamide
CID 43712227
N-(5-cyano-3-fluoro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62838481
N-(5-cyano-3-fluoro-2-methylphenyl)-3-(cyclopropylamino)propanamide
CID 54925369
2-[2-(5-cyano-3-fluoro-2-methylanilino)-2-oxoethoxy]acetic acid
CID 61327661
N-(3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79192494
ethyl N-(5-cyano-3-fluoro-2-methylphenyl)carbamate
CID 61061573
N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79192157
3-fluoro-4-methyl-5-(pentan-2-ylamino)benzonitrile
CID 43728379
(2S)-2-amino-N-(5-cyano-3-fluoro-2-methylphenyl)-3,3-dimethylbutanamide
CID 61178263
N-(4-chloro-2-fluorophenyl)-4-hydroxypentanamide
CID 79191552

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide?
The IUPAC name of N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide (CID 79200626) is N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide.
What is the SMILES notation for N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide?
The canonical SMILES for N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide is Cc1c(F)cc(C#N)cc1NC(=O)CCC(C)O.
What is the InChIKey of N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide?
The InChIKey is SECQBULGWGHVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8(17)3-4-13(18)16-12-6-10(7-15)5-11(14)9(12)2/h5-6,8,17H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide?
N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide has a molecular weight of 250.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-3-fluoro-2-methylphenyl)-4-hydroxypentanamide is sourced from PubChem (CID 79200626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).