N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide

C13H16FNO3 — CID 174428773

IUPACN-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide
SMILESCC(O)COc1cc(F)ccc1C(=O)NC1CC1
InChIInChI=1S/C13H16FNO3/c1-8(16)7-18-12-6-9(14)2-5-11(12)13(17)15-10-3-4-10/h2,5-6,8,10,16H,3-4,7H2,1H3,(H,15,17)
InChIKeyYODXTBVBMPRHFZ-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.48
Rot. Bonds5

About N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide

N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide (PubChem CID 174428773) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide
PubChem CID174428773
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC NameN-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide
SMILESCC(O)COc1cc(F)ccc1C(=O)NC1CC1
InChIInChI=1S/C13H16FNO3/c1-8(16)7-18-12-6-9(14)2-5-11(12)13(17)15-10-3-4-10/h2,5-6,8,10,16H,3-4,7H2,1H3,(H,15,17)
InChIKeyYODXTBVBMPRHFZ-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-fluoro-2-methoxybenzamide
CID 162421278
N-(4-aminocyclohexyl)-2-(difluoromethoxy)-4-fluorobenzamide;hydrochloride
CID 119475467
N-cyclobutyl-2,4-difluorobenzamide
CID 70247338
2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-cyclopropyl-4-fluorobenzamide
CID 10412648
2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride
CID 166174911
N-cyclopentyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
CID 86792594
5-fluoro-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 31306165
N-(4-ethylcyclohexyl)-4-fluoro-2-methylbenzamide
CID 112702388
1-[2-(3-cyclopentyl-2-hydroxypropoxy)-4-fluorophenyl]ethanone
CID 103158590
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
CID 63110662

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide?
The IUPAC name of N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide (CID 174428773) is N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide is CC(O)COc1cc(F)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide?
The InChIKey is YODXTBVBMPRHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-8(16)7-18-12-6-9(14)2-5-11(12)13(17)15-10-3-4-10/h2,5-6,8,10,16H,3-4,7H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide?
N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide has a molecular weight of 253.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-2-(2-hydroxypropoxy)benzamide is sourced from PubChem (CID 174428773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).