N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide

C13H17ClN2O2 — CID 108574115

IUPACN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
SMILESCCC(=O)NCCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-2-12(17)15-7-8-16-13(18)9-10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyWTSDFSRVGRRJCL-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.52
Rot. Bonds6

About N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide

N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide (PubChem CID 108574115) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
PubChem CID108574115
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
SMILESCCC(=O)NCCNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O2/c1-2-12(17)15-7-8-16-13(18)9-10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyWTSDFSRVGRRJCL-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
CID 119408603
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
N-(3-amino-3-sulfanylidenepropyl)-2-(4-chlorophenyl)acetamide
CID 62667824
N-[3-(4-chlorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 38019898
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
2-(4-chlorophenyl)-N-(cyanomethyl)acetamide
CID 4630629
1-(4-chlorophenyl)butan-2-one
CID 39237509
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 8733082
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]acetate
CID 27682247
1-(4-chlorophenyl)-4-methylidenehexan-2-one
CID 66044563

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide?
The IUPAC name of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide (CID 108574115) is N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide.
What is the SMILES notation for N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide?
The canonical SMILES for N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide is CCC(=O)NCCNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide?
The InChIKey is WTSDFSRVGRRJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-2-12(17)15-7-8-16-13(18)9-10-3-5-11(14)6-4-10/h3-6H,2,7-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide?
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide has a molecular weight of 268.74 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 108574115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).