3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide

C24H28FN3O4 — CID 47051038

IUPAC3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(NC(=O)N(CC2CCCO2)CC2CCCO2)c1
InChIInChI=1S/C24H28FN3O4/c25-18-6-2-8-20(14-18)26-23(29)17-5-1-7-19(13-17)27-24(30)28(15-21-9-3-11-31-21)16-22-10-4-12-32-22/h1-2,5-8,13-14,21-22H,3-4,9-12,15-16H2,(H,26,29)(H,27,30)
InChIKeySAXMCIKAEDXLJO-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.27
Rot. Bonds7

About 3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide

3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide (PubChem CID 47051038) has the molecular formula C24H28FN3O4 and a molecular weight of 441.50 g/mol. Its IUPAC name is 3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide
PubChem CID47051038
Molecular FormulaC24H28FN3O4
Molecular Weight441.50 g/mol
Exact Mass441.21
IUPAC Name3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(NC(=O)N(CC2CCCO2)CC2CCCO2)c1
InChIInChI=1S/C24H28FN3O4/c25-18-6-2-8-20(14-18)26-23(29)17-5-1-7-19(13-17)27-24(30)28(15-21-9-3-11-31-21)16-22-10-4-12-32-22/h1-2,5-8,13-14,21-22H,3-4,9-12,15-16H2,(H,26,29)(H,27,30)
InChIKeySAXMCIKAEDXLJO-UHFFFAOYSA-N
XLogP4.27
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
CID 51952632
N-[4-(dimethylamino)-3-[[2,2-dimethylpropanoyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]-3-fluorobenzamide
CID 93128767
3-fluoro-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 42427188
N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229052
2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4059297
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
3-[3-(2-oxoimidazolidin-1-yl)phenyl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 52513315
3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94652128
3-(3-acetylphenyl)-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61174521
4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 8017104

Frequently Asked Questions

What is the IUPAC name of 3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide (CID 47051038) is 3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide is O=C(Nc1cccc(F)c1)c1cccc(NC(=O)N(CC2CCCO2)CC2CCCO2)c1.
What is the InChIKey of 3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide?
The InChIKey is SAXMCIKAEDXLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O4/c25-18-6-2-8-20(14-18)26-23(29)17-5-1-7-19(13-17)27-24(30)28(15-21-9-3-11-31-21)16-22-10-4-12-32-22/h1-2,5-8,13-14,21-22H,3-4,9-12,15-16H2,(H,26,29)(H,27,30).
What are the key properties of 3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide?
3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide has a molecular weight of 441.50 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 47051038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).