N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide

C18H21ClN2O2 — CID 110664507

IUPACN-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-21(16-7-5-15(19)6-8-16)12-11-20-18(22)13-14-3-9-17(23-2)10-4-14/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyVAYPJNLBEIRBNU-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.14
Rot. Bonds7

About N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide

N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 110664507) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID110664507
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCN(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-21(16-7-5-15(19)6-8-16)12-11-20-18(22)13-14-3-9-17(23-2)10-4-14/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyVAYPJNLBEIRBNU-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 110664504
5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide
CID 100530036
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113059999
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185
N-[2-[2-aminoethyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 56968146
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
2-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide
CID 113102048
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052674
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053170
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113056584

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide (CID 110664507) is N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCN(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is VAYPJNLBEIRBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-21(16-7-5-15(19)6-8-16)12-11-20-18(22)13-14-3-9-17(23-2)10-4-14/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 332.83 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 110664507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).