N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide

C16H17ClN2O — CID 43297476

IUPACN-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H17ClN2O/c1-11(13-4-8-15(18)9-5-13)19-16(20)10-12-2-6-14(17)7-3-12/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyVJXKUQRDVZCLBL-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.34
Rot. Bonds4

About N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide

N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 43297476) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
PubChem CID43297476
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide
SMILESCC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(N)cc1
InChIInChI=1S/C16H17ClN2O/c1-11(13-4-8-15(18)9-5-13)19-16(20)10-12-2-6-14(17)7-3-12/h2-9,11H,10,18H2,1H3,(H,19,20)
InChIKeyVJXKUQRDVZCLBL-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

2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 60927303
2-(4-bromophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751622
2-(4-aminophenyl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide
CID 119799878
2-(4-aminophenyl)-N-[1-(4-ethylsulfanylphenyl)ethyl]acetamide;hydrochloride
CID 119774122
2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 119689371
2-[2-(aminomethyl)phenyl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 81313304
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
CID 81354657
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407
[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8578991
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide (CID 43297476) is N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide is CC(NC(=O)Cc1ccc(Cl)cc1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is VJXKUQRDVZCLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11(13-4-8-15(18)9-5-13)19-16(20)10-12-2-6-14(17)7-3-12/h2-9,11H,10,18H2,1H3,(H,19,20).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide?
N-[1-(4-aminophenyl)ethyl]-2-(4-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-(4-aminophenyl)ethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 43297476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).