N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide

C14H18FNO2 — CID 103887557

IUPACN-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
SMILESCCCCN(C(=O)c1ccc(F)cc1O)C1CC1
InChIInChI=1S/C14H18FNO2/c1-2-3-8-16(11-5-6-11)14(18)12-7-4-10(15)9-13(12)17/h4,7,9,11,17H,2-3,5-6,8H2,1H3
InChIKeyVZWMHSVVHXKRKC-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.94
Rot. Bonds5

About N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide

N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide (PubChem CID 103887557) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
PubChem CID103887557
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
SMILESCCCCN(C(=O)c1ccc(F)cc1O)C1CC1
InChIInChI=1S/C14H18FNO2/c1-2-3-8-16(11-5-6-11)14(18)12-7-4-10(15)9-13(12)17/h4,7,9,11,17H,2-3,5-6,8H2,1H3
InChIKeyVZWMHSVVHXKRKC-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
CID 60944357
N-cyclopropyl-5-fluoro-2-hydroxy-N-propylbenzamide
CID 115298911
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
CID 103891986
N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
CID 103889306
2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide
CID 43270647
N-butyl-N-cyclopropyl-2,3-difluorobenzamide
CID 55210520
2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 63109697
3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide
CID 113386417
N-butyl-N-cyclopropyl-3-hydroxypyridine-2-carboxamide
CID 61443052
2-[butyl(cyclopropyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 61445644
2-[[butyl(cyclopropyl)carbamoyl]amino]-5-fluorobenzoic acid
CID 61443329

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide (CID 103887557) is N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide is CCCCN(C(=O)c1ccc(F)cc1O)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide?
The InChIKey is VZWMHSVVHXKRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-3-8-16(11-5-6-11)14(18)12-7-4-10(15)9-13(12)17/h4,7,9,11,17H,2-3,5-6,8H2,1H3.
What are the key properties of N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide?
N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide has a molecular weight of 251.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 103887557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).