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

C21H25ClN2O2 — CID 113170122

IUPAC2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCCc1cccc(CC)c1N(CC(=O)NCc1ccccc1Cl)C(C)=O
InChIInChI=1S/C21H25ClN2O2/c1-4-16-10-8-11-17(5-2)21(16)24(15(3)25)14-20(26)23-13-18-9-6-7-12-19(18)22/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)
InChIKeyYDVQHFYSOZWQNA-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.13
Rot. Bonds7

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

2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 113170122) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID113170122
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
SMILESCCc1cccc(CC)c1N(CC(=O)NCc1ccccc1Cl)C(C)=O
InChIInChI=1S/C21H25ClN2O2/c1-4-16-10-8-11-17(5-2)21(16)24(15(3)25)14-20(26)23-13-18-9-6-7-12-19(18)22/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)
InChIKeyYDVQHFYSOZWQNA-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167096
3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113125531
2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167289
N-[(2-chlorophenyl)methyl]-2-(N,4-diacetylanilino)acetamide
CID 113175577
methyl 3-[acetyl-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 113176222
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113181772
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113172670
2-(N-acetyl-2,6-diethylanilino)-N-(4-chlorophenyl)acetamide
CID 113170186
N-[(2-chlorophenyl)methyl]-2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287193
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113162165
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide (CID 113170122) is 2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide is CCc1cccc(CC)c1N(CC(=O)NCc1ccccc1Cl)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is YDVQHFYSOZWQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-4-16-10-8-11-17(5-2)21(16)24(15(3)25)14-20(26)23-13-18-9-6-7-12-19(18)22/h6-12H,4-5,13-14H2,1-3H3,(H,23,26).
What are the key properties of 2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide?
2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 372.90 g/mol, XLogP of 4.13, 7 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-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 113170122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).