3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide

C25H26FN3O2 — CID 42959553

IUPAC3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide
SMILESCC(NC(=O)CC(NC(N)=O)c1ccccc1F)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26FN3O2/c1-17(24(18-10-4-2-5-11-18)19-12-6-3-7-13-19)28-23(30)16-22(29-25(27)31)20-14-8-9-15-21(20)26/h2-15,17,22,24H,16H2,1H3,(H,28,30)(H3,27,29,31)
InChIKeyLEEPXUCGPVLITL-UHFFFAOYSA-N
MW419.50 g/mol
LogP4.26
Rot. Bonds8

About 3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide

3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide (PubChem CID 42959553) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide
PubChem CID42959553
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide
SMILESCC(NC(=O)CC(NC(N)=O)c1ccccc1F)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26FN3O2/c1-17(24(18-10-4-2-5-11-18)19-12-6-3-7-13-19)28-23(30)16-22(29-25(27)31)20-14-8-9-15-21(20)26/h2-15,17,22,24H,16H2,1H3,(H,28,30)(H3,27,29,31)
InChIKeyLEEPXUCGPVLITL-UHFFFAOYSA-N
XLogP4.26
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2-fluorophenyl)butanoylamino]-3-phenylpropanoic acid
CID 119114018
(3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide
CID 98367833
(3S)-3-(carbamoylamino)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-phenylpropanamide
CID 26082762
3-(carbamoylamino)-N-cyclohexyl-3-(2-fluorophenyl)propanamide
CID 42953252
[(1R)-3-[2-ethyl-2-(4-methylphenyl)hydrazinyl]-1-(2-fluorophenyl)-3-oxopropyl]urea
CID 39641678
(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 32610043
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 42959561
(3S)-3-(carbamoylamino)-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(2-fluorophenyl)propanamide
CID 51935494
2-[3-(2-fluorophenyl)butanoylamino]propanoic acid
CID 119225742
N-(1,1-diphenylpropan-2-yl)-2-fluorobenzamide
CID 46432015
N-[(2S)-1-aminopropan-2-yl]-3-(2-fluorophenyl)butanamide
CID 120505857
(3R)-3-(carbamoylamino)-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(2-fluorophenyl)propanamide
CID 38834282

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide (CID 42959553) is 3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide is CC(NC(=O)CC(NC(N)=O)c1ccccc1F)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide?
The InChIKey is LEEPXUCGPVLITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-17(24(18-10-4-2-5-11-18)19-12-6-3-7-13-19)28-23(30)16-22(29-25(27)31)20-14-8-9-15-21(20)26/h2-15,17,22,24H,16H2,1H3,(H,28,30)(H3,27,29,31).
What are the key properties of 3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide?
3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide has a molecular weight of 419.50 g/mol, XLogP of 4.26, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(1,1-diphenylpropan-2-yl)-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 42959553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).