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

C17H17Cl2NO — CID 9441522

IUPACN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
SMILESC[C@@H](NC(=O)CCc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO/c1-12(15-9-8-14(18)11-16(15)19)20-17(21)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyZSTJBEIBOWVURC-GFCCVEGCSA-N
MW322.24 g/mol
LogP4.80
Rot. Bonds5

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

N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide (PubChem CID 9441522) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
PubChem CID9441522
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC NameN-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
SMILESC[C@@H](NC(=O)CCc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO/c1-12(15-9-8-14(18)11-16(15)19)20-17(21)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyZSTJBEIBOWVURC-GFCCVEGCSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
N-[1-(2,4-dichlorophenyl)ethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 51311614
N-[1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 55470483
N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide
CID 46591216
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42925134
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
3-(1,3-benzothiazol-2-yl)-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 24643115
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(N-methylanilino)acetamide
CID 8689218
(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 124695441
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(phenylcarbamoylamino)acetamide
CID 25483366

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide (CID 9441522) is N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide is C[C@@H](NC(=O)CCc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide?
The InChIKey is ZSTJBEIBOWVURC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-12(15-9-8-14(18)11-16(15)19)20-17(21)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide?
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide has a molecular weight of 322.24 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 9441522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).