2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide

C19H21ClN2O2 — CID 113169682

IUPAC2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccccc1C(C)C
InChIInChI=1S/C19H21ClN2O2/c1-13(2)17-6-4-5-7-18(17)22(14(3)23)12-19(24)21-16-10-8-15(20)9-11-16/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyAUBLIHYPYBGXAW-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.45
Rot. Bonds5

About 2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide

2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide (PubChem CID 113169682) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide
PubChem CID113169682
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccccc1C(C)C
InChIInChI=1S/C19H21ClN2O2/c1-13(2)17-6-4-5-7-18(17)22(14(3)23)12-19(24)21-16-10-8-15(20)9-11-16/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKeyAUBLIHYPYBGXAW-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-propan-2-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113169742
2-(N-acetyl-2-propan-2-ylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113169714
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(4-chlorophenyl)acetamide
CID 113174292
2-(N-acetyl-2,3-dichloroanilino)-N-(4-chlorophenyl)acetamide
CID 113180167
2-(N-acetyl-2,4-dichloroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113179621
N-(4-acetamidophenyl)-2-(N-acetyl-2-chloroanilino)acetamide
CID 113171239
2-(N-acetyl-2-propan-2-ylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113169688
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide
CID 113178608
2-(N-acetyl-2,4-dichloroanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113179624
2-(N-acetyl-2-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113167364
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide
CID 113178617
2-(N-acetyl-2-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 113170796

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide (CID 113169682) is 2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1ccccc1C(C)C.
What is the InChIKey of 2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide?
The InChIKey is AUBLIHYPYBGXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13(2)17-6-4-5-7-18(17)22(14(3)23)12-19(24)21-16-10-8-15(20)9-11-16/h4-11,13H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide?
2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide has a molecular weight of 344.84 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-propan-2-ylanilino)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 113169682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).