2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide

C20H23ClN2O2 — CID 113162608

IUPAC2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C(C)C)Cc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-14(2)17-9-5-7-11-19(17)22-20(25)13-23(15(3)24)12-16-8-4-6-10-18(16)21/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyNGKAMGVFIKVDER-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.45
Rot. Bonds6

About 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide

2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 113162608) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide
PubChem CID113162608
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1C(C)C)Cc1ccccc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-14(2)17-9-5-7-11-19(17)22-20(25)13-23(15(3)24)12-16-8-4-6-10-18(16)21/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyNGKAMGVFIKVDER-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 113162602
ethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate
CID 113162670
3-(2-chlorophenyl)-N-(2-propan-2-ylphenyl)propanamide
CID 17179057
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-chlorophenyl)acetamide
CID 113162954
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113162643
2-(N-acetyl-2,4-dichloroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113179621
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
2-(N-acetyl-2-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113167364
2-[acetyl(cyclohexyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113159511
3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119498
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113162240
2-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113172577

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide (CID 113162608) is 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1C(C)C)Cc1ccccc1Cl.
What is the InChIKey of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is NGKAMGVFIKVDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14(2)17-9-5-7-11-19(17)22-20(25)13-23(15(3)24)12-16-8-4-6-10-18(16)21/h4-11,14H,12-13H2,1-3H3,(H,22,25).
What are the key properties of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide?
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 358.87 g/mol, XLogP of 4.45, 6 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-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113162608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).