(3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide

C18H20FN3O2 — CID 94782805

IUPAC(3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide
SMILESCN(C)C(=O)C[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H20FN3O2/c1-22(2)17(23)12-16(13-6-4-3-5-7-13)21-18(24)20-15-10-8-14(19)9-11-15/h3-11,16H,12H2,1-2H3,(H2,20,21,24)/t16-/m1/s1
InChIKeyORTXCLGHETVTIX-MRXNPFEDSA-N
MW329.38 g/mol
LogP3.17
Rot. Bonds5

About (3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide

(3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide (PubChem CID 94782805) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide
PubChem CID94782805
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide
SMILESCN(C)C(=O)C[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H20FN3O2/c1-22(2)17(23)12-16(13-6-4-3-5-7-13)21-18(24)20-15-10-8-14(19)9-11-15/h3-11,16H,12H2,1-2H3,(H2,20,21,24)/t16-/m1/s1
InChIKeyORTXCLGHETVTIX-MRXNPFEDSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 94782001
N,N-dimethyl-3-[(4-methyl-2-oxochromen-7-yl)carbamoylamino]-3-phenylpropanamide
CID 47072840
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide
CID 142268155
3-[(4-methoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 16772233
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide
CID 27868583
N-(4-fluorophenyl)-2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9253364
N-[3-[1-(4-fluorophenyl)ethyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 46647738
(2S)-2-[(4-fluorophenyl)carbamoylamino]-N-hydroxy-2-phenylacetamide
CID 71455830
1-[cyano(phenyl)methyl]-3-(4-fluorophenyl)urea
CID 60706067
1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea
CID 8933297

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide?
The IUPAC name of (3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide (CID 94782805) is (3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide?
The canonical SMILES for (3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide is CN(C)C(=O)C[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide?
The InChIKey is ORTXCLGHETVTIX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-22(2)17(23)12-16(13-6-4-3-5-7-13)21-18(24)20-15-10-8-14(19)9-11-15/h3-11,16H,12H2,1-2H3,(H2,20,21,24)/t16-/m1/s1.
What are the key properties of (3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide?
(3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide has a molecular weight of 329.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-fluorophenyl)carbamoylamino]-N,N-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 94782805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).