2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide

C19H21ClN2O2 — CID 113162602

IUPAC2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-13-7-6-8-14(2)19(13)21-18(24)12-22(15(3)23)11-16-9-4-5-10-17(16)20/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyDTJOJBGFWTUMHX-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.94
Rot. Bonds5

About 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide

2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 113162602) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID113162602
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-13-7-6-8-14(2)19(13)21-18(24)12-22(15(3)23)11-16-9-4-5-10-17(16)20/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyDTJOJBGFWTUMHX-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113119485
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113161458
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113162643
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113162235
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113162608
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113161843
ethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate
CID 113162670
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide
CID 113161924
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162238
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113162240
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
CID 113162520
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-chlorophenyl)acetamide
CID 113162954

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide (CID 113162602) is 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide is CC(=O)N(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1Cl.
What is the InChIKey of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is DTJOJBGFWTUMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-7-6-8-14(2)19(13)21-18(24)12-22(15(3)23)11-16-9-4-5-10-17(16)20/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide?
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 344.84 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 113162602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).