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

C16H24ClN3O — CID 81144136

IUPAC2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide
SMILESCCNCc1ccc(N(CC(N)=O)C2CCCC2)c(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-2-19-10-12-7-8-15(14(17)9-12)20(11-16(18)21)13-5-3-4-6-13/h7-9,13,19H,2-6,10-11H2,1H3,(H2,18,21)
InChIKeyIUYVMUSDZKSYDQ-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.68
Rot. Bonds7

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

2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide (PubChem CID 81144136) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide.

Molecular Properties

Compound Name2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide
PubChem CID81144136
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide
SMILESCCNCc1ccc(N(CC(N)=O)C2CCCC2)c(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-2-19-10-12-7-8-15(14(17)9-12)20(11-16(18)21)13-5-3-4-6-13/h7-9,13,19H,2-6,10-11H2,1H3,(H2,18,21)
InChIKeyIUYVMUSDZKSYDQ-UHFFFAOYSA-N
XLogP2.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.68
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

2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide
CID 62122770
2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline
CID 81148757
2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide
CID 81148812
2-chloro-N-cyclopentyl-N-ethyl-4-(methylaminomethyl)aniline
CID 81149000
3-[2-chloro-N-cyclobutyl-4-(propylaminomethyl)anilino]propan-1-ol
CID 102864703
2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
CID 81147081
2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
CID 81143889
N-[2-chloro-4-(ethylaminomethyl)phenyl]-N,1-dimethylpiperidin-3-amine
CID 81148886
2-[cyclopentyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757258
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
CID 81149499
1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 81148490
N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide?
The IUPAC name of 2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide (CID 81144136) is 2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide.
What is the SMILES notation for 2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide?
The canonical SMILES for 2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide is CCNCc1ccc(N(CC(N)=O)C2CCCC2)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide?
The InChIKey is IUYVMUSDZKSYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-2-19-10-12-7-8-15(14(17)9-12)20(11-16(18)21)13-5-3-4-6-13/h7-9,13,19H,2-6,10-11H2,1H3,(H2,18,21).
What are the key properties of 2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide?
2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide has a molecular weight of 309.84 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-cyclopentyl-4-(ethylaminomethyl)anilino]acetamide is sourced from PubChem (CID 81144136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).