3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide

C16H23ClN2O2 — CID 113127866

IUPAC3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide
SMILESCC(=O)N(CCC(=O)NC(C)(C)C)c1ccc(Cl)cc1C
InChIInChI=1S/C16H23ClN2O2/c1-11-10-13(17)6-7-14(11)19(12(2)20)9-8-15(21)18-16(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,18,21)
InChIKeyUXOJJOQQOZWNSN-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.31
Rot. Bonds4

About 3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide

3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide (PubChem CID 113127866) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide
PubChem CID113127866
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide
SMILESCC(=O)N(CCC(=O)NC(C)(C)C)c1ccc(Cl)cc1C
InChIInChI=1S/C16H23ClN2O2/c1-11-10-13(17)6-7-14(11)19(12(2)20)9-8-15(21)18-16(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,18,21)
InChIKeyUXOJJOQQOZWNSN-UHFFFAOYSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 113127907
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,5-dichlorophenyl)propanamide
CID 113127945
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113127886
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113127884
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113127889
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113127915
3-(N-acetyl-4-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127924
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113127834
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224
3-(N-acetyl-4-chloro-2-methylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 113127843
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113127938

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide?
The IUPAC name of 3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide (CID 113127866) is 3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide?
The canonical SMILES for 3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide is CC(=O)N(CCC(=O)NC(C)(C)C)c1ccc(Cl)cc1C.
What is the InChIKey of 3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide?
The InChIKey is UXOJJOQQOZWNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-11-10-13(17)6-7-14(11)19(12(2)20)9-8-15(21)18-16(3,4)5/h6-7,10H,8-9H2,1-5H3,(H,18,21).
What are the key properties of 3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide?
3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide has a molecular weight of 310.83 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-chloro-2-methylanilino)-N-tert-butylpropanamide is sourced from PubChem (CID 113127866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).