N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide

C16H17ClN2O — CID 62504759

IUPACN-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide
SMILESCC(NC(=O)Cc1cccc(Cl)c1)c1cccc(N)c1
InChIInChI=1S/C16H17ClN2O/c1-11(13-5-3-7-15(18)10-13)19-16(20)9-12-4-2-6-14(17)8-12/h2-8,10-11H,9,18H2,1H3,(H,19,20)
InChIKeyNSNRUZRZPHGAQL-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.34
Rot. Bonds4

About N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide

N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide (PubChem CID 62504759) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide
PubChem CID62504759
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide
SMILESCC(NC(=O)Cc1cccc(Cl)c1)c1cccc(N)c1
InChIInChI=1S/C16H17ClN2O/c1-11(13-5-3-7-15(18)10-13)19-16(20)9-12-4-2-6-14(17)8-12/h2-8,10-11H,9,18H2,1H3,(H,19,20)
InChIKeyNSNRUZRZPHGAQL-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
2-(3-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133202355
N-[1-(3-aminophenyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 43297617
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9164817
2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 62499997
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840313
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097
(2S,3R)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 94460369
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide (CID 62504759) is N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide is CC(NC(=O)Cc1cccc(Cl)c1)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide?
The InChIKey is NSNRUZRZPHGAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11(13-5-3-7-15(18)10-13)19-16(20)9-12-4-2-6-14(17)8-12/h2-8,10-11H,9,18H2,1H3,(H,19,20).
What are the key properties of N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide?
N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide has a molecular weight of 288.78 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 62504759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).