(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide

C17H18Cl2N2O — CID 124695441

IUPAC(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-11(14-8-7-13(18)9-15(14)19)21-17(22)10-16(20)12-5-3-2-4-6-12/h2-9,11,16H,10,20H2,1H3,(H,21,22)/t11-,16-/m0/s1
InChIKeyTWCYVCOKCSXSIR-ZBEGNZNMSA-N
MW337.25 g/mol
LogP4.26
Rot. Bonds5

About (3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide

(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide (PubChem CID 124695441) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is (3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
PubChem CID124695441
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-11(14-8-7-13(18)9-15(14)19)21-17(22)10-16(20)12-5-3-2-4-6-12/h2-9,11,16H,10,20H2,1H3,(H,21,22)/t11-,16-/m0/s1
InChIKeyTWCYVCOKCSXSIR-ZBEGNZNMSA-N
XLogP4.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81375536
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 2530467
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
CID 104897119
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834173
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide
CID 122157159
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 9441522
3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119948894
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(N-methylanilino)acetamide
CID 8689218

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of (3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide (CID 124695441) is (3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide is C[C@H](NC(=O)C[C@H](N)c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is TWCYVCOKCSXSIR-ZBEGNZNMSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-11(14-8-7-13(18)9-15(14)19)21-17(22)10-16(20)12-5-3-2-4-6-12/h2-9,11,16H,10,20H2,1H3,(H,21,22)/t11-,16-/m0/s1.
What are the key properties of (3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide?
(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 337.25 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 124695441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).