(2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide

C21H26F3N3O2 — CID 175552219

IUPAC(2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide
SMILESCCC(=O)NCc1ccccc1.NC(=O)[C@H](N)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O.C10H13NO/c12-11(13,14)8-4-1-7(2-5-8)3-6-9(15)10(16)17;1-2-10(12)11-8-9-6-4-3-5-7-9/h1-2,4-5,9H,3,6,15H2,(H2,16,17);3-7H,2,8H2,1H3,(H,11,12)/t9-;/m1./s1
InChIKeyPCMADXCLRIPXDG-SBSPUUFOSA-N
MW409.45 g/mol
LogP3.16
Rot. Bonds7

About (2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide

(2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide (PubChem CID 175552219) has the molecular formula C21H26F3N3O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is (2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide
PubChem CID175552219
Molecular FormulaC21H26F3N3O2
Molecular Weight409.45 g/mol
Exact Mass409.20
IUPAC Name(2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide
SMILESCCC(=O)NCc1ccccc1.NC(=O)[C@H](N)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O.C10H13NO/c12-11(13,14)8-4-1-7(2-5-8)3-6-9(15)10(16)17;1-2-10(12)11-8-9-6-4-3-5-7-9/h1-2,4-5,9H,3,6,15H2,(H2,16,17);3-7H,2,8H2,1H3,(H,11,12)/t9-;/m1./s1
InChIKeyPCMADXCLRIPXDG-SBSPUUFOSA-N
XLogP3.16
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-3-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 18164591
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
(2S)-2-[[(3S)-3-amino-4-oxo-4-[[4-(trifluoromethyl)phenyl]methylamino]butanoyl]amino]propanoic acid
CID 11394327
3-amino-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880466
N-benzylpropanamide;(2R)-2-(cyclohexylamino)-4-phenylbutanamide
CID 175552079
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
2-phenyl-2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]acetamide
CID 51315384
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
(2S)-2-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 119294899
2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid
CID 25220023
N-benzyl-2-[[N'-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamimidoyl]amino]acetamide
CID 111295693
3-methyl-5-phenyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 175774255

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide?
The IUPAC name of (2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide (CID 175552219) is (2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide.
What is the SMILES notation for (2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide?
The canonical SMILES for (2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide is CCC(=O)NCc1ccccc1.NC(=O)[C@H](N)CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide?
The InChIKey is PCMADXCLRIPXDG-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H13F3N2O.C10H13NO/c12-11(13,14)8-4-1-7(2-5-8)3-6-9(15)10(16)17;1-2-10(12)11-8-9-6-4-3-5-7-9/h1-2,4-5,9H,3,6,15H2,(H2,16,17);3-7H,2,8H2,1H3,(H,11,12)/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide?
(2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide has a molecular weight of 409.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-[4-(trifluoromethyl)phenyl]butanamide;N-benzylpropanamide is sourced from PubChem (CID 175552219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).