N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide

C22H22FNO3 — CID 175644929

IUPACN-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide
SMILESCC(C)(O)C(O)CNC(=O)c1ccc(-c2ccccc2F)c2ccccc12
InChIInChI=1S/C22H22FNO3/c1-22(2,27)20(25)13-24-21(26)18-12-11-16(14-7-3-4-8-15(14)18)17-9-5-6-10-19(17)23/h3-12,20,25,27H,13H2,1-2H3,(H,24,26)
InChIKeyBUCBAZGONKDMMM-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.51
Rot. Bonds5

About N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide

N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide (PubChem CID 175644929) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide
PubChem CID175644929
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC NameN-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide
SMILESCC(C)(O)C(O)CNC(=O)c1ccc(-c2ccccc2F)c2ccccc12
InChIInChI=1S/C22H22FNO3/c1-22(2,27)20(25)13-24-21(26)18-12-11-16(14-7-3-4-8-15(14)18)17-9-5-6-10-19(17)23/h3-12,20,25,27H,13H2,1-2H3,(H,24,26)
InChIKeyBUCBAZGONKDMMM-UHFFFAOYSA-N
XLogP3.51
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide
CID 114088238
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
1-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)naphthalene-2-carboxamide
CID 103726312
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide
CID 111697244
4-fluoro-N-pentylnaphthalene-1-carboxamide
CID 114088205
2-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103820494
4-fluoro-N-(2-methylprop-2-enyl)naphthalene-1-carboxamide
CID 114088240
N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
CID 106153058
5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
CID 103726467
N-(2-amino-4-methylpentyl)-2-fluorobenzamide
CID 107158830

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide (CID 175644929) is N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide is CC(C)(O)C(O)CNC(=O)c1ccc(-c2ccccc2F)c2ccccc12.
What is the InChIKey of N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide?
The InChIKey is BUCBAZGONKDMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c1-22(2,27)20(25)13-24-21(26)18-12-11-16(14-7-3-4-8-15(14)18)17-9-5-6-10-19(17)23/h3-12,20,25,27H,13H2,1-2H3,(H,24,26).
What are the key properties of N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide?
N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-3-methylbutyl)-4-(2-fluorophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 175644929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).