N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide

C18H21ClN2O — CID 109002945

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)NCCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H21ClN2O/c1-13-3-8-17(11-14(13)2)21-12-18(22)20-10-9-15-4-6-16(19)7-5-15/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyKBVPGKNIFHYWMF-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.73
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide (PubChem CID 109002945) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide
PubChem CID109002945
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide
SMILESCc1ccc(NCC(=O)NCCc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H21ClN2O/c1-13-3-8-17(11-14(13)2)21-12-18(22)20-10-9-15-4-6-16(19)7-5-15/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyKBVPGKNIFHYWMF-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 109002953
2-(1,3-benzodioxol-5-ylamino)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 109003009
2-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 26437572
2-(5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 26439038
N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide
CID 109002951
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 37476152
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978044
2-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
N-[2-(3-chlorophenyl)ethyl]-2-(3,5-dimethylanilino)acetamide
CID 109006812
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
N-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2385556

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide (CID 109002945) is N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide is Cc1ccc(NCC(=O)NCCc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide?
The InChIKey is KBVPGKNIFHYWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-13-3-8-17(11-14(13)2)21-12-18(22)20-10-9-15-4-6-16(19)7-5-15/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide has a molecular weight of 316.83 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(3,4-dimethylanilino)acetamide is sourced from PubChem (CID 109002945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).