N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide

C12H16FNO2 — CID 103829638

IUPACN-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H16FNO2/c1-3-4-7-14(2)12(16)10-6-5-9(13)8-11(10)15/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyAVRPZJIYXCLPKL-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.40
Rot. Bonds4

About N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide

N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide (PubChem CID 103829638) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
PubChem CID103829638
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H16FNO2/c1-3-4-7-14(2)12(16)10-6-5-9(13)8-11(10)15/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyAVRPZJIYXCLPKL-UHFFFAOYSA-N
XLogP2.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
CID 103889306
ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
CID 103829871
2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
CID 107013339
4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide
CID 103527334
N-butyl-6-fluoro-N-methyl-1H-indole-3-carboxamide
CID 113206223
N-(2-bromopropyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107016758
4-fluoro-2-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 113304528
5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065
5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
CID 61091185

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide?
The IUPAC name of N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide (CID 103829638) is N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide?
The canonical SMILES for N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(F)cc1O.
What is the InChIKey of N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide?
The InChIKey is AVRPZJIYXCLPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-4-7-14(2)12(16)10-6-5-9(13)8-11(10)15/h5-6,8,15H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide?
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide has a molecular weight of 225.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 103829638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).