(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide

C16H16Cl2N2O — CID 104983740

IUPAC(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c17-12-8-13(18)10-14(9-12)20-16(21)15(19)7-6-11-4-2-1-3-5-11/h1-5,8-10,15H,6-7,19H2,(H,20,21)/t15-/m0/s1
InChIKeyHFYLUSAIEWKPAN-HNNXBMFYSA-N
MW323.22 g/mol
LogP3.89
Rot. Bonds5

About (2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide

(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide (PubChem CID 104983740) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
PubChem CID104983740
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c17-12-8-13(18)10-14(9-12)20-16(21)15(19)7-6-11-4-2-1-3-5-11/h1-5,8-10,15H,6-7,19H2,(H,20,21)/t15-/m0/s1
InChIKeyHFYLUSAIEWKPAN-HNNXBMFYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-4-phenylbutanamide
CID 67010614
2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
(2R)-2-amino-N-(4-chloro-3-methylphenyl)-4-phenylbutanamide
CID 21341484
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-(4-pyrimidin-5-ylphenyl)butanamide
CID 143178391
2-amino-N-(3-hydroxyphenyl)-4-phenylbutanamide
CID 114927368
(2S)-2-amino-N-(3-chloro-5-fluorophenyl)-3-phenylpropanamide
CID 107365994
(2S)-2-amino-N-(3-bromo-4-fluorophenyl)-4-phenylbutanamide
CID 104984797
2-amino-N-(2-bromo-4-chlorophenyl)-4-phenylbutanamide
CID 114929090
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845
2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide
CID 43094521
(2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide
CID 104984746
(2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide
CID 104984882

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide (CID 104983740) is (2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide is N[C@@H](CCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide?
The InChIKey is HFYLUSAIEWKPAN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-12-8-13(18)10-14(9-12)20-16(21)15(19)7-6-11-4-2-1-3-5-11/h1-5,8-10,15H,6-7,19H2,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide?
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide has a molecular weight of 323.22 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide is sourced from PubChem (CID 104983740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).