N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide

C15H22FNO2 — CID 107676641

IUPACN-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide
SMILESCCCCN(C(=O)c1ccc(O)cc1F)C(C)CC
InChIInChI=1S/C15H22FNO2/c1-4-6-9-17(11(3)5-2)15(19)13-8-7-12(18)10-14(13)16/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKeyAMOJDDMPVXZHDQ-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.57
Rot. Bonds6

About N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide

N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide (PubChem CID 107676641) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide
PubChem CID107676641
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide
SMILESCCCCN(C(=O)c1ccc(O)cc1F)C(C)CC
InChIInChI=1S/C15H22FNO2/c1-4-6-9-17(11(3)5-2)15(19)13-8-7-12(18)10-14(13)16/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKeyAMOJDDMPVXZHDQ-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-N-butyl-2-fluoro-4-methylbenzamide
CID 79778285
2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide
CID 113355617
N-butan-2-yl-N-butyl-5-fluoro-2-nitrobenzamide
CID 61051050
N-butan-2-yl-N-butyl-2,6-dihydroxybenzamide
CID 107689251
4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
CID 43274768
N-butyl-2,3,4-trifluoro-N-heptan-2-ylbenzamide
CID 91723493
N-butan-2-yl-N-butyl-5-chloro-2-(methylamino)benzamide
CID 62177319
N-[2-(dimethylamino)ethyl]-2-fluoro-4-hydroxy-N-propylbenzamide
CID 104929967
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865
2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
CID 107674770
N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677720
2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 106501622

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide (CID 107676641) is N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide is CCCCN(C(=O)c1ccc(O)cc1F)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide?
The InChIKey is AMOJDDMPVXZHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-6-9-17(11(3)5-2)15(19)13-8-7-12(18)10-14(13)16/h7-8,10-11,18H,4-6,9H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide?
N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide has a molecular weight of 267.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107676641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).