N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide

C16H17ClN2O — CID 61219066

IUPACN-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
SMILESNc1ccc(CCNC(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c17-15-4-2-1-3-13(15)11-16(20)19-10-9-12-5-7-14(18)8-6-12/h1-8H,9-11,18H2,(H,19,20)
InChIKeyKQZLNFSXGMZSMX-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.82
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide

N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide (PubChem CID 61219066) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
PubChem CID61219066
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
SMILESNc1ccc(CCNC(=O)Cc2ccccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c17-15-4-2-1-3-13(15)11-16(20)19-10-9-12-5-7-14(18)8-6-12/h1-8H,9-11,18H2,(H,19,20)
InChIKeyKQZLNFSXGMZSMX-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789402
2-(2-chlorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100631897
2-(2-chlorophenyl)-N-[2-(furan-3-yl)ethyl]acetamide
CID 71798453
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 108997925
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 100632856
N-[2-(4-chlorophenyl)ethyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 18588832
2-[[2-(2-chlorophenyl)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29456122
2-[(2-chlorophenyl)methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108997936
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 9217667

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide (CID 61219066) is N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide is Nc1ccc(CCNC(=O)Cc2ccccc2Cl)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide?
The InChIKey is KQZLNFSXGMZSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-15-4-2-1-3-13(15)11-16(20)19-10-9-12-5-7-14(18)8-6-12/h1-8H,9-11,18H2,(H,19,20).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide?
N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide has a molecular weight of 288.78 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 61219066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).