N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide

C18H21ClN2O2 — CID 108999015

IUPACN-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CNc1cc(Cl)ccc1OC
InChIInChI=1S/C18H21ClN2O2/c1-3-21(13-14-7-5-4-6-8-14)18(22)12-20-16-11-15(19)9-10-17(16)23-2/h4-11,20H,3,12-13H2,1-2H3
InChIKeyNQBFVMWKOSKGLD-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.81
Rot. Bonds7

About N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide

N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide (PubChem CID 108999015) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide
PubChem CID108999015
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CNc1cc(Cl)ccc1OC
InChIInChI=1S/C18H21ClN2O2/c1-3-21(13-14-7-5-4-6-8-14)18(22)12-20-16-11-15(19)9-10-17(16)23-2/h4-11,20H,3,12-13H2,1-2H3
InChIKeyNQBFVMWKOSKGLD-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide
CID 60535262
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
2-(5-chloro-2-methoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86910523
N-benzyl-N-ethyl-2-(2-phenoxyanilino)acetamide
CID 108999057
N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide
CID 109031714
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide
CID 109120619
2-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)acetamide
CID 26417313
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide
CID 112978890
N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide
CID 108998963
2-[[2-[benzyl(ethyl)amino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8563570
N-(2-benzylphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 8903100
N-benzyl-N-ethyl-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998287

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide (CID 108999015) is N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CNc1cc(Cl)ccc1OC.
What is the InChIKey of N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide?
The InChIKey is NQBFVMWKOSKGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-21(13-14-7-5-4-6-8-14)18(22)12-20-16-11-15(19)9-10-17(16)23-2/h4-11,20H,3,12-13H2,1-2H3.
What are the key properties of N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide?
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide has a molecular weight of 332.83 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-chloro-2-methoxyanilino)-N-ethylacetamide is sourced from PubChem (CID 108999015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).