3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide

C14H18FNO3 — CID 71989568

IUPAC3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(O)CCOCC2)cc1F
InChIInChI=1S/C14H18FNO3/c1-10-2-3-11(8-12(10)15)13(17)16-9-14(18)4-6-19-7-5-14/h2-3,8,18H,4-7,9H2,1H3,(H,16,17)
InChIKeyAPUKAXYFNBTTMX-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.41
Rot. Bonds3

About 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide

3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide (PubChem CID 71989568) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
PubChem CID71989568
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(O)CCOCC2)cc1F
InChIInChI=1S/C14H18FNO3/c1-10-2-3-11(8-12(10)15)13(17)16-9-14(18)4-6-19-7-5-14/h2-3,8,18H,4-7,9H2,1H3,(H,16,17)
InChIKeyAPUKAXYFNBTTMX-UHFFFAOYSA-N
XLogP1.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 79040021
4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039692
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluoro-4-methylbenzamide
CID 65123648
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936095
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
4-[[(4-fluoro-3-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438418
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036
4-(aminomethyl)-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]oxane-4-carboxamide;hydrochloride
CID 120921353
3-fluoro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-4-methoxybenzamide
CID 129413929
N-[(4-hydroxyoxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 79037313
1-[[(3-fluoro-4-methylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81368916

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide (CID 71989568) is 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2(O)CCOCC2)cc1F.
What is the InChIKey of 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide?
The InChIKey is APUKAXYFNBTTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10-2-3-11(8-12(10)15)13(17)16-9-14(18)4-6-19-7-5-14/h2-3,8,18H,4-7,9H2,1H3,(H,16,17).
What are the key properties of 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide?
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide has a molecular weight of 267.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 71989568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).