4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide

C14H18FNO3 — CID 112702691

IUPAC4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C14H18FNO3/c1-10-8-11(15)2-3-12(10)13(17)16-9-14(18)4-6-19-7-5-14/h2-3,8,18H,4-7,9H2,1H3,(H,16,17)
InChIKeyUMEVHSGLZIRHFT-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.41
Rot. Bonds3

About 4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide

4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide (PubChem CID 112702691) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
PubChem CID112702691
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C14H18FNO3/c1-10-8-11(15)2-3-12(10)13(17)16-9-14(18)4-6-19-7-5-14/h2-3,8,18H,4-7,9H2,1H3,(H,16,17)
InChIKeyUMEVHSGLZIRHFT-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

2-bromo-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039867
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 71989568
7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide
CID 111486130
2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-4-(4-methylphenyl)benzamide
CID 111486212
4-fluoro-2-methyl-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103820345
2,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 113337991
5-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 111486185
4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438299
4-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103863824
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 103863815
3-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylbenzamide
CID 79040021
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide?
The IUPAC name of 4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide (CID 112702691) is 4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide is Cc1cc(F)ccc1C(=O)NCC1(O)CCOCC1.
What is the InChIKey of 4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide?
The InChIKey is UMEVHSGLZIRHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10-8-11(15)2-3-12(10)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 4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide?
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-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 4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 112702691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).