2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide

C19H19F2N3O3 — CID 134050539

IUPAC2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C19H19F2N3O3/c20-12-3-8-17(21)16(10-12)18(25)23-13-4-6-14(7-5-13)24-19(26)22-11-15-2-1-9-27-15/h3-8,10,15H,1-2,9,11H2,(H,23,25)(H2,22,24,26)
InChIKeyVLFQGJATFAQFLN-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.52
Rot. Bonds5

About 2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide

2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide (PubChem CID 134050539) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
PubChem CID134050539
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C19H19F2N3O3/c20-12-3-8-17(21)16(10-12)18(25)23-13-4-6-14(7-5-13)24-19(26)22-11-15-2-1-9-27-15/h3-8,10,15H,1-2,9,11H2,(H,23,25)(H2,22,24,26)
InChIKeyVLFQGJATFAQFLN-UHFFFAOYSA-N
XLogP3.52
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47223543
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95155012
4,5-difluoro-2-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 62866631
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
2,4-dichloro-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 40740660
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94167086
1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide (CID 134050539) is 2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide is O=C(NCC1CCCO1)Nc1ccc(NC(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of 2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide?
The InChIKey is VLFQGJATFAQFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c20-12-3-8-17(21)16(10-12)18(25)23-13-4-6-14(7-5-13)24-19(26)22-11-15-2-1-9-27-15/h3-8,10,15H,1-2,9,11H2,(H,23,25)(H2,22,24,26).
What are the key properties of 2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide?
2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide has a molecular weight of 375.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide is sourced from PubChem (CID 134050539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).