2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide

C16H23ClN2O2 — CID 113171731

IUPAC2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H23ClN2O2/c1-5-6-10-18(4)16(21)11-19(13(3)20)15-9-7-8-14(17)12(15)2/h7-9H,5-6,10-11H2,1-4H3
InChIKeyUKFUAZVDNDRGCD-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.26
Rot. Bonds6

About 2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide

2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide (PubChem CID 113171731) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide
PubChem CID113171731
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H23ClN2O2/c1-5-6-10-18(4)16(21)11-19(13(3)20)15-9-7-8-14(17)12(15)2/h7-9H,5-6,10-11H2,1-4H3
InChIKeyUKFUAZVDNDRGCD-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
CID 113127573
2-(N-acetyl-2,3-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168897
2-(N-acetyl-2-methylanilino)-N-butyl-N-methylacetamide
CID 113167338
N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154880
2-(N-acetyl-3-chloro-2-methylanilino)-N-butylacetamide
CID 113171663
2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide
CID 113170458
2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
CID 113167534
2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168509
2-(N-acetyl-3-chloro-2-methylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 113171767
2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide
CID 113171662
2-(N-acetyl-2-morpholin-4-ylanilino)-N-butyl-N-methylacetamide
CID 113177315
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide (CID 113171731) is 2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide is CCCCN(C)C(=O)CN(C(C)=O)c1cccc(Cl)c1C.
What is the InChIKey of 2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide?
The InChIKey is UKFUAZVDNDRGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-5-6-10-18(4)16(21)11-19(13(3)20)15-9-7-8-14(17)12(15)2/h7-9H,5-6,10-11H2,1-4H3.
What are the key properties of 2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide?
2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide has a molecular weight of 310.83 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide is sourced from PubChem (CID 113171731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).