N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide

C18H20FNO2 — CID 161032004

IUPACN-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide
SMILESCCCCNC(=O)c1cc(-c2ccc(C)cc2F)ccc1O
InChIInChI=1S/C18H20FNO2/c1-3-4-9-20-18(22)15-11-13(6-8-17(15)21)14-7-5-12(2)10-16(14)19/h5-8,10-11,21H,3-4,9H2,1-2H3,(H,20,22)
InChIKeyFZKSMJTWMMRIGN-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.04
Rot. Bonds5

About N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide

N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide (PubChem CID 161032004) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide
PubChem CID161032004
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide
SMILESCCCCNC(=O)c1cc(-c2ccc(C)cc2F)ccc1O
InChIInChI=1S/C18H20FNO2/c1-3-4-9-20-18(22)15-11-13(6-8-17(15)21)14-7-5-12(2)10-16(14)19/h5-8,10-11,21H,3-4,9H2,1-2H3,(H,20,22)
InChIKeyFZKSMJTWMMRIGN-UHFFFAOYSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide
CID 43600759
2-hydroxy-5-methyl-N-[2-(propylamino)ethyl]benzamide
CID 55100965
2-hydroxy-4-methyl-N-octylbenzamide
CID 115568594
2-fluoro-4-(2-fluoro-4-methylphenyl)phenol
CID 53219309
4-[(2-fluoro-5-methylbenzoyl)amino]butanoic acid
CID 62514075
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
N-(2-chloro-4-cyanophenyl)-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide
CID 167080575
1-[[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]amino]-3-ethylthiourea
CID 11602754
2-bromo-N-hexyl-5-methylbenzamide
CID 80980200
N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 27646537
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-hydroxy-5-methylbenzamide
CID 111451372

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide?
The IUPAC name of N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide (CID 161032004) is N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide.
What is the SMILES notation for N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide?
The canonical SMILES for N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide is CCCCNC(=O)c1cc(-c2ccc(C)cc2F)ccc1O.
What is the InChIKey of N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide?
The InChIKey is FZKSMJTWMMRIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-3-4-9-20-18(22)15-11-13(6-8-17(15)21)14-7-5-12(2)10-16(14)19/h5-8,10-11,21H,3-4,9H2,1-2H3,(H,20,22).
What are the key properties of N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide?
N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide has a molecular weight of 301.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2-fluoro-4-methylphenyl)-2-hydroxybenzamide is sourced from PubChem (CID 161032004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).