N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide

C19H18FNO4 — CID 97013900

IUPACN-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide
SMILESO=C(NC[C@H]1COCCO1)c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO4/c20-14-7-5-13(6-8-14)18(22)16-3-1-2-4-17(16)19(23)21-11-15-12-24-9-10-25-15/h1-8,15H,9-12H2,(H,21,23)/t15-/m0/s1
InChIKeyKXDHFTRASSEKKC-HNNXBMFYSA-N
MW343.35 g/mol
LogP2.20
Rot. Bonds5

About N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide

N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide (PubChem CID 97013900) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide.

Molecular Properties

Compound NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide
PubChem CID97013900
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide
SMILESO=C(NC[C@H]1COCCO1)c1ccccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FNO4/c20-14-7-5-13(6-8-14)18(22)16-3-1-2-4-17(16)19(23)21-11-15-12-24-9-10-25-15/h1-8,15H,9-12H2,(H,21,23)/t15-/m0/s1
InChIKeyKXDHFTRASSEKKC-HNNXBMFYSA-N
XLogP2.20
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-2-(4-fluorobenzoyl)benzamide
CID 71938613
N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908963
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(thiophene-2-carbonyl)benzamide
CID 97013902
2-[2-[[(2R)-1,4-dioxan-2-yl]methylcarbamoyl]phenyl]benzoic acid
CID 125120548
N-(1,4-dioxan-2-ylmethyl)-3-hydroxy-2-methylbenzamide
CID 82829560
N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide
CID 77086310
4-carbamothioyl-N-(1,4-dioxan-2-ylmethyl)benzamide
CID 54908262
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
N-(1,4-dioxan-2-ylmethyl)-2,4-dimethylbenzamide;ethane
CID 178150014
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydroxybenzamide
CID 113358419
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119460024
4-(aminomethyl)-N-(1,4-dioxan-2-ylmethyl)benzamide;hydrochloride
CID 119295756

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide?
The IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide (CID 97013900) is N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide.
What is the SMILES notation for N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide?
The canonical SMILES for N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide is O=C(NC[C@H]1COCCO1)c1ccccc1C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide?
The InChIKey is KXDHFTRASSEKKC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18FNO4/c20-14-7-5-13(6-8-14)18(22)16-3-1-2-4-17(16)19(23)21-11-15-12-24-9-10-25-15/h1-8,15H,9-12H2,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide?
N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide has a molecular weight of 343.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-(4-fluorobenzoyl)benzamide is sourced from PubChem (CID 97013900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).