3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide

C19H20FN3O3 — CID 75800008

IUPAC3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H20FN3O3/c20-14-4-1-3-13(11-14)18(24)22-15-6-8-16(9-7-15)23-19(25)21-12-17-5-2-10-26-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,22,24)(H2,21,23,25)
InChIKeyCIESEZPEUFDDSU-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.38
Rot. Bonds5

About 3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide

3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide (PubChem CID 75800008) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
PubChem CID75800008
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H20FN3O3/c20-14-4-1-3-13(11-14)18(24)22-15-6-8-16(9-7-15)23-19(25)21-12-17-5-2-10-26-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,22,24)(H2,21,23,25)
InChIKeyCIESEZPEUFDDSU-UHFFFAOYSA-N
XLogP3.38
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 134050539
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
3-fluoro-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 42427188
3-N-(4-acetamidophenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053089
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
5-[(3-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42757273
(2S)-N-[4-[(3-fluorobenzoyl)amino]phenyl]oxolane-2-carboxamide
CID 37396645
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47223543
1-N-(oxolan-2-ylmethyl)-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053079
N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062632
3-methoxy-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 1217033

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide (CID 75800008) is 3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide is O=C(NCC1CCCO1)Nc1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide?
The InChIKey is CIESEZPEUFDDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-14-4-1-3-13(11-14)18(24)22-15-6-8-16(9-7-15)23-19(25)21-12-17-5-2-10-26-17/h1,3-4,6-9,11,17H,2,5,10,12H2,(H,22,24)(H2,21,23,25).
What are the key properties of 3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide?
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide has a molecular weight of 357.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 75800008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).