(3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C18H18F4N2O — CID 11537671

IUPAC(3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESN[C@@H](CC(=O)NCc1ccc(C(F)(F)F)cc1)Cc1ccccc1F
InChIInChI=1S/C18H18F4N2O/c19-16-4-2-1-3-13(16)9-15(23)10-17(25)24-11-12-5-7-14(8-6-12)18(20,21)22/h1-8,15H,9-11,23H2,(H,24,25)/t15-/m1/s1
InChIKeyQHNKHXBMZHRDJD-OAHLLOKOSA-N
MW354.35 g/mol
LogP3.42
Rot. Bonds6

About (3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

(3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 11537671) has the molecular formula C18H18F4N2O and a molecular weight of 354.35 g/mol. Its IUPAC name is (3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID11537671
Molecular FormulaC18H18F4N2O
Molecular Weight354.35 g/mol
Exact Mass354.14
IUPAC Name(3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESN[C@@H](CC(=O)NCc1ccc(C(F)(F)F)cc1)Cc1ccccc1F
InChIInChI=1S/C18H18F4N2O/c19-16-4-2-1-3-13(16)9-15(23)10-17(25)24-11-12-5-7-14(8-6-12)18(20,21)22/h1-8,15H,9-11,23H2,(H,24,25)/t15-/m1/s1
InChIKeyQHNKHXBMZHRDJD-OAHLLOKOSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
(3R)-3-amino-4-(2-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 11551038
(3R)-3-amino-4-(2-fluorophenyl)butanamide
CID 143290720
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
(3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide
CID 11534288
(4R)-4-amino-5-(2-fluorophenyl)pentan-2-one
CID 59650649
(3R)-3-amino-4-(2-fluorophenyl)-N-[2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1,5-naphthyridin-3-yl]butanamide;dihydrochloride
CID 87743095
(3R)-3-amino-4-(2-fluorophenyl)-N-(2-pyridin-2-ylethyl)butanamide
CID 11543968
2-(3-fluoro-4-sulfanylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 146211391
3-amino-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880466
(3R)-3-amino-4-phenyl-N-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methyl]butanamide
CID 167758030
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 11537671) is (3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for (3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for (3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is N[C@@H](CC(=O)NCc1ccc(C(F)(F)F)cc1)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is QHNKHXBMZHRDJD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18F4N2O/c19-16-4-2-1-3-13(16)9-15(23)10-17(25)24-11-12-5-7-14(8-6-12)18(20,21)22/h1-8,15H,9-11,23H2,(H,24,25)/t15-/m1/s1.
What are the key properties of (3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
(3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 354.35 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 11537671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).