2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide

C16H23ClN2O3 — CID 113172837

IUPAC2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NCCC(C)C)C(C)=O
InChIInChI=1S/C16H23ClN2O3/c1-11(2)7-8-18-16(21)10-19(12(3)20)14-9-13(17)5-6-15(14)22-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,18,21)
InChIKeyQXAWKIMFAJACDN-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.86
Rot. Bonds7

About 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide

2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide (PubChem CID 113172837) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
PubChem CID113172837
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NCCC(C)C)C(C)=O
InChIInChI=1S/C16H23ClN2O3/c1-11(2)7-8-18-16(21)10-19(12(3)20)14-9-13(17)5-6-15(14)22-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,18,21)
InChIKeyQXAWKIMFAJACDN-UHFFFAOYSA-N
XLogP2.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 110767257
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113172889
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylbutyl)acetamide
CID 113181280
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113171882
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,6-diethylphenyl)acetamide
CID 113172865
2-(N-acetyl-2,5-dimethoxyanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174537
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide
CID 113060271
2-(N-acetyl-2-methoxy-5-methylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 113174052
2-(N-acetyl-2,5-dichloroanilino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113179717
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2-tert-butylphenyl)acetamide
CID 113172867
2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide
CID 113177811
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113172914

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide (CID 113172837) is 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide is COc1ccc(Cl)cc1N(CC(=O)NCCC(C)C)C(C)=O.
What is the InChIKey of 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is QXAWKIMFAJACDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-11(2)7-8-18-16(21)10-19(12(3)20)14-9-13(17)5-6-15(14)22-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,18,21).
What are the key properties of 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide?
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 326.82 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113172837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).