2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide

C18H21ClN2O — CID 108996919

IUPAC2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CNCCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O/c1-14-4-2-6-16(10-14)12-21-18(22)13-20-9-8-15-5-3-7-17(19)11-15/h2-7,10-11,20H,8-9,12-13H2,1H3,(H,21,22)
InChIKeyHFIDIFBLRWIREO-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.10
Rot. Bonds7

About 2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide

2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 108996919) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID108996919
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
SMILESCc1cccc(CNC(=O)CNCCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O/c1-14-4-2-6-16(10-14)12-21-18(22)13-20-9-8-15-5-3-7-17(19)11-15/h2-7,10-11,20H,8-9,12-13H2,1H3,(H,21,22)
InChIKeyHFIDIFBLRWIREO-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.10
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

N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799
3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135340
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108993808
2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide
CID 62314829

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide (CID 108996919) is 2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide is Cc1cccc(CNC(=O)CNCCc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is HFIDIFBLRWIREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14-4-2-6-16(10-14)12-21-18(22)13-20-9-8-15-5-3-7-17(19)11-15/h2-7,10-11,20H,8-9,12-13H2,1H3,(H,21,22).
What are the key properties of 2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide?
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 316.83 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 108996919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).