2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide

C15H21Cl2N3O2 — CID 9253724

IUPAC2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN[C@@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O2/c1-9(2)7-19-15(22)20-14(21)8-18-10(3)12-5-4-11(16)6-13(12)17/h4-6,9-10,18H,7-8H2,1-3H3,(H2,19,20,21,22)/t10-/m0/s1
InChIKeyRPMYAGIQLPWCPR-JTQLQIEISA-N
MW346.26 g/mol
LogP3.13
Rot. Bonds6

About 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide

2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 9253724) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID9253724
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CN[C@@H](C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2N3O2/c1-9(2)7-19-15(22)20-14(21)8-18-10(3)12-5-4-11(16)6-13(12)17/h4-6,9-10,18H,7-8H2,1-3H3,(H2,19,20,21,22)/t10-/m0/s1
InChIKeyRPMYAGIQLPWCPR-JTQLQIEISA-N
XLogP3.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzylcarbamoyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
CID 4828683
[(1R)-1-(2,4-dichlorophenyl)ethyl]-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
CID 9253725
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
N-(2-chlorophenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 9253950
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9254112
2-(4-chloroanilino)-N-(2-methylpropylcarbamoyl)acetamide
CID 26506580
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 9377861
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 9253824
2-[[1-(2,4-dichlorophenyl)ethylamino]methyl]prop-2-enoic acid
CID 103233973
2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide
CID 43328744

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide (CID 9253724) is 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CN[C@@H](C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is RPMYAGIQLPWCPR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21Cl2N3O2/c1-9(2)7-19-15(22)20-14(21)8-18-10(3)12-5-4-11(16)6-13(12)17/h4-6,9-10,18H,7-8H2,1-3H3,(H2,19,20,21,22)/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide?
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 346.26 g/mol, XLogP of 3.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 9253724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).