2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide

C22H27ClN2O2 — CID 113178608

IUPAC2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C22H27ClN2O2/c1-14(2)19-10-7-11-20(15(3)4)22(19)25(16(5)26)13-21(27)24-18-9-6-8-17(23)12-18/h6-12,14-15H,13H2,1-5H3,(H,24,27)
InChIKeyPKAWIJNWSKJHEX-UHFFFAOYSA-N
MW386.92 g/mol
LogP5.58
Rot. Bonds6

About 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide

2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide (PubChem CID 113178608) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide
PubChem CID113178608
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cccc(Cl)c1)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C22H27ClN2O2/c1-14(2)19-10-7-11-20(15(3)4)22(19)25(16(5)26)13-21(27)24-18-9-6-8-17(23)12-18/h6-12,14-15H,13H2,1-5H3,(H,24,27)
InChIKeyPKAWIJNWSKJHEX-UHFFFAOYSA-N
XLogP5.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.92
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113126328
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide
CID 113178617
2-(N-acetyl-4-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 113171584
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178618
N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide
CID 113154527
2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113170355
2-(N-acetyl-3-methylanilino)-N-(3-chlorophenyl)acetamide
CID 113167570
3-(N-acetyl-4-propan-2-ylanilino)-N-(3-chlorophenyl)propanamide
CID 113125911
2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide
CID 113169682
2-(N-acetyl-3-chloroanilino)-N-(3-methylphenyl)acetamide
CID 113171372
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide
CID 113178588
2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113169742

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide (CID 113178608) is 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide is CC(=O)N(CC(=O)Nc1cccc(Cl)c1)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide?
The InChIKey is PKAWIJNWSKJHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-14(2)19-10-7-11-20(15(3)4)22(19)25(16(5)26)13-21(27)24-18-9-6-8-17(23)12-18/h6-12,14-15H,13H2,1-5H3,(H,24,27).
What are the key properties of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide?
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide has a molecular weight of 386.92 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 113178608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).