2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide

C18H21ClN2O — CID 108998199

IUPAC2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CNCc1ccc(Cl)cc1)c1cccc(C)c1
InChIInChI=1S/C18H21ClN2O/c1-3-21(17-6-4-5-14(2)11-17)18(22)13-20-12-15-7-9-16(19)10-8-15/h4-11,20H,3,12-13H2,1-2H3
InChIKeyKCMYLVHNZHWNFH-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.79
Rot. Bonds6

About 2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide

2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 108998199) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID108998199
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CNCc1ccc(Cl)cc1)c1cccc(C)c1
InChIInChI=1S/C18H21ClN2O/c1-3-21(17-6-4-5-14(2)11-17)18(22)13-20-12-15-7-9-16(19)10-8-15/h4-11,20H,3,12-13H2,1-2H3
InChIKeyKCMYLVHNZHWNFH-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108994566
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113151118
N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024080
2-[2-(4-chlorophenyl)ethylamino]-N-ethyl-N-phenylacetamide
CID 109002844
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide
CID 113002186
2-[4-chloro-2-(trifluoromethyl)anilino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 109011119
3-[(4-bromophenyl)methyl]-1-ethyl-1-(3-methylphenyl)urea
CID 108899566
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide (CID 108998199) is 2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CNCc1ccc(Cl)cc1)c1cccc(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is KCMYLVHNZHWNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-3-21(17-6-4-5-14(2)11-17)18(22)13-20-12-15-7-9-16(19)10-8-15/h4-11,20H,3,12-13H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 316.83 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 108998199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).