2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide

C17H19ClN2O — CID 81313061

IUPAC2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide
SMILESNCc1ccccc1CC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c18-16-7-3-4-13(10-16)8-9-20-17(21)11-14-5-1-2-6-15(14)12-19/h1-7,10H,8-9,11-12,19H2,(H,20,21)
InChIKeyDUONIDOOLQNSDM-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.70
Rot. Bonds6

About 2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide

2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide (PubChem CID 81313061) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide
PubChem CID81313061
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide
SMILESNCc1ccccc1CC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O/c18-16-7-3-4-13(10-16)8-9-20-17(21)11-14-5-1-2-6-15(14)12-19/h1-7,10H,8-9,11-12,19H2,(H,20,21)
InChIKeyDUONIDOOLQNSDM-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
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N-[2-(3-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]acetamide
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1-[[3-(aminomethyl)phenyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 108901405
N-[2-(3-chlorophenyl)ethyl]-2-(furan-2-yl)acetamide
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N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide (CID 81313061) is 2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide is NCc1ccccc1CC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is DUONIDOOLQNSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-16-7-3-4-13(10-16)8-9-20-17(21)11-14-5-1-2-6-15(14)12-19/h1-7,10H,8-9,11-12,19H2,(H,20,21).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide?
2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 302.81 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-[2-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 81313061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).