N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide

C20H22Cl2N2O2 — CID 97088982

IUPACN'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
SMILESC[C@H](NC(=O)CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O2/c1-13(15-6-4-3-5-7-15)23-19(25)10-11-20(26)24-14(2)17-9-8-16(21)12-18(17)22/h3-9,12-14H,10-11H2,1-2H3,(H,23,25)(H,24,26)/t13-,14+/m0/s1
InChIKeyOVPSVLAJFOJCIS-UONOGXRCSA-N
MW393.31 g/mol
LogP4.83
Rot. Bonds7

About N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide

N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide (PubChem CID 97088982) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide.

Molecular Properties

Compound NameN'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
PubChem CID97088982
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC NameN'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
SMILESC[C@H](NC(=O)CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O2/c1-13(15-6-4-3-5-7-15)23-19(25)10-11-20(26)24-14(2)17-9-8-16(21)12-18(17)22/h3-9,12-14H,10-11H2,1-2H3,(H,23,25)(H,24,26)/t13-,14+/m0/s1
InChIKeyOVPSVLAJFOJCIS-UONOGXRCSA-N
XLogP4.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 9441522
(3S)-3-acetamido-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 2530467
(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 124695441
N-[1-(2,4-dichlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 51311614
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834173
[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755619
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
CID 104897119
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide
CID 122157159
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(N-methylanilino)acetamide
CID 8689218

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide?
The IUPAC name of N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide (CID 97088982) is N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide.
What is the SMILES notation for N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide?
The canonical SMILES for N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide is C[C@H](NC(=O)CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide?
The InChIKey is OVPSVLAJFOJCIS-UONOGXRCSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-13(15-6-4-3-5-7-15)23-19(25)10-11-20(26)24-14(2)17-9-8-16(21)12-18(17)22/h3-9,12-14H,10-11H2,1-2H3,(H,23,25)(H,24,26)/t13-,14+/m0/s1.
What are the key properties of N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide?
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide has a molecular weight of 393.31 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide is sourced from PubChem (CID 97088982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).