(3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide

C19H19F3N4O — CID 167758030

IUPAC(3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide
SMILESN[C@@H](CC(=O)NCc1ccc(C2(C(F)(F)F)N=N2)cc1)Cc1ccccc1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)18(25-26-18)15-8-6-14(7-9-15)12-24-17(27)11-16(23)10-13-4-2-1-3-5-13/h1-9,16H,10-12,23H2,(H,24,27)/t16-/m1/s1
InChIKeyZPPKEONGARLEKW-MRXNPFEDSA-N
MW376.38 g/mol
LogP3.44
Rot. Bonds7

About (3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide

(3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide (PubChem CID 167758030) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is (3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide
PubChem CID167758030
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC Name(3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide
SMILESN[C@@H](CC(=O)NCc1ccc(C2(C(F)(F)F)N=N2)cc1)Cc1ccccc1
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)18(25-26-18)15-8-6-14(7-9-15)12-24-17(27)11-16(23)10-13-4-2-1-3-5-13/h1-9,16H,10-12,23H2,(H,24,27)/t16-/m1/s1
InChIKeyZPPKEONGARLEKW-MRXNPFEDSA-N
XLogP3.44
TPSA79.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-amino-3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propanoyl]amino]methyl]benzamide
CID 167823350
3,4-diamino-N-benzylbutanamide
CID 57016843
(3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 11537671
N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661
2-methyl-5-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methylcarbamoyl]triazole-4-carboxylic acid
CID 167929288
[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]-ditritiomethanol
CID 10513097
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
(3R)-N-benzyl-3-hydroxypentanamide
CID 130658384
N,N'-dibenzyl-2-bromobutanediamide
CID 12947254
(2S)-2-amino-3-[4-[(3-methylbutanoylamino)methyl]phenyl]propanoic acid
CID 58987527
(2R)-4-(benzylamino)-2-[(4-bromophenyl)methyl]-4-oxobutanoic acid
CID 1112955

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide?
The IUPAC name of (3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide (CID 167758030) is (3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide.
What is the SMILES notation for (3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide?
The canonical SMILES for (3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide is N[C@@H](CC(=O)NCc1ccc(C2(C(F)(F)F)N=N2)cc1)Cc1ccccc1.
What is the InChIKey of (3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide?
The InChIKey is ZPPKEONGARLEKW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19F3N4O/c20-19(21,22)18(25-26-18)15-8-6-14(7-9-15)12-24-17(27)11-16(23)10-13-4-2-1-3-5-13/h1-9,16H,10-12,23H2,(H,24,27)/t16-/m1/s1.
What are the key properties of (3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide?
(3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide has a molecular weight of 376.38 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide is sourced from PubChem (CID 167758030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).