(2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide

C17H24Cl2N2O2 — CID 100596073

IUPAC(2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC
InChIInChI=1S/C17H24Cl2N2O2/c1-4-9-20-17(23)15(5-2)21(16(22)6-3)11-12-7-8-13(18)14(19)10-12/h7-8,10,15H,4-6,9,11H2,1-3H3,(H,20,23)/t15-/m1/s1
InChIKeyZLFBIXFZTNRZSR-OAHLLOKOSA-N
MW359.30 g/mol
LogP4.04
Rot. Bonds8

About (2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide

(2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide (PubChem CID 100596073) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is (2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide
PubChem CID100596073
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name(2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide
SMILESCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC
InChIInChI=1S/C17H24Cl2N2O2/c1-4-9-20-17(23)15(5-2)21(16(22)6-3)11-12-7-8-13(18)14(19)10-12/h7-8,10,15H,4-6,9,11H2,1-3H3,(H,20,23)/t15-/m1/s1
InChIKeyZLFBIXFZTNRZSR-OAHLLOKOSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylbutanamide
CID 132701189
2-[[2-(2,6-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 132678497
(2S)-2-[(3,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
CID 100594887
2-[(3,4-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 132670463
2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylbutanamide
CID 132670478
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100563627
2-[(3,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propylbutanamide
CID 132674747
(2S)-2-[(3,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-propylbutanamide
CID 100595179
(2S)-2-[(3,4-dichlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylbutanamide
CID 100589803
2-[[2-(2-chlorophenoxy)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 132943422
(2S)-2-[[2-(3-chlorophenoxy)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100595996
(2S)-2-[(3,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-propylbutanamide
CID 100590225

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide?
The IUPAC name of (2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide (CID 100596073) is (2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide.
What is the SMILES notation for (2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide?
The canonical SMILES for (2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide is CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC.
What is the InChIKey of (2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide?
The InChIKey is ZLFBIXFZTNRZSR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-4-9-20-17(23)15(5-2)21(16(22)6-3)11-12-7-8-13(18)14(19)10-12/h7-8,10,15H,4-6,9,11H2,1-3H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide?
(2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide has a molecular weight of 359.30 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dichlorophenyl)methyl-propanoylamino]-N-propylbutanamide is sourced from PubChem (CID 100596073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).