2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide

C15H24ClN3O — CID 81148812

IUPAC2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide
SMILESCCCCN(CC(N)=O)c1ccc(CNCC)cc1Cl
InChIInChI=1S/C15H24ClN3O/c1-3-5-8-19(11-15(17)20)14-7-6-12(9-13(14)16)10-18-4-2/h6-7,9,18H,3-5,8,10-11H2,1-2H3,(H2,17,20)
InChIKeyLCJDMENEXBJFIV-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.54
Rot. Bonds9

About 2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide

2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide (PubChem CID 81148812) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide
PubChem CID81148812
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide
SMILESCCCCN(CC(N)=O)c1ccc(CNCC)cc1Cl
InChIInChI=1S/C15H24ClN3O/c1-3-5-8-19(11-15(17)20)14-7-6-12(9-13(14)16)10-18-4-2/h6-7,9,18H,3-5,8,10-11H2,1-2H3,(H2,17,20)
InChIKeyLCJDMENEXBJFIV-UHFFFAOYSA-N
XLogP2.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81149132
2-[N-butyl-2-chloro-4-[(1R)-1-hydroxyethyl]anilino]acetamide
CID 78940689
2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide
CID 81144136
2-[2-chloro-N-(2-methylpropyl)-4-[(propan-2-ylamino)methyl]anilino]acetamide
CID 81144344
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
CID 81149499
2-[N-butyl-4-(ethylaminomethyl)-3-methylanilino]acetamide
CID 62128442
2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 81149614
2-(4-amino-N-butyl-2-methylanilino)acetamide
CID 55002760
2-chloro-N-ethyl-N-propyl-4-(propylaminomethyl)aniline
CID 81148770
3-amino-4-[(2-amino-2-oxoethyl)-butylamino]-N-methylbenzamide
CID 82988450
2-[4-(ethylaminomethyl)-2-methyl-N-propan-2-ylanilino]acetamide
CID 55040171
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147968

Frequently Asked Questions

What is the IUPAC name of 2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide?
The IUPAC name of 2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide (CID 81148812) is 2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide.
What is the SMILES notation for 2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide?
The canonical SMILES for 2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide is CCCCN(CC(N)=O)c1ccc(CNCC)cc1Cl.
What is the InChIKey of 2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide?
The InChIKey is LCJDMENEXBJFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-5-8-19(11-15(17)20)14-7-6-12(9-13(14)16)10-18-4-2/h6-7,9,18H,3-5,8,10-11H2,1-2H3,(H2,17,20).
What are the key properties of 2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide?
2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide has a molecular weight of 297.83 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide is sourced from PubChem (CID 81148812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).