2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide

C17H19ClN2O3 — CID 47064308

IUPAC2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCCOc2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C17H19ClN2O3/c1-19-17(21)15-8-3-12(11-16(15)18)20-9-10-23-14-6-4-13(22-2)5-7-14/h3-8,11,20H,9-10H2,1-2H3,(H,19,21)
InChIKeyAIQNFZCCQSCOFE-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.20
Rot. Bonds7

About 2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide

2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide (PubChem CID 47064308) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide
PubChem CID47064308
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCCOc2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C17H19ClN2O3/c1-19-17(21)15-8-3-12(11-16(15)18)20-9-10-23-14-6-4-13(22-2)5-7-14/h3-8,11,20H,9-10H2,1-2H3,(H,19,21)
InChIKeyAIQNFZCCQSCOFE-UHFFFAOYSA-N
XLogP3.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methyl-4-[[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]benzamide
CID 55917443
4-[2-(4-methoxyanilino)ethoxy]phenol
CID 71735773
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
2-chloro-N-cyclopropyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 55805524
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxyaniline
CID 54796773
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 71857453
4-N-(3-chloro-4-methylphenyl)-6-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112875854
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 60679168
2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide?
The IUPAC name of 2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide (CID 47064308) is 2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide is CNC(=O)c1ccc(NCCOc2ccc(OC)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide?
The InChIKey is AIQNFZCCQSCOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-19-17(21)15-8-3-12(11-16(15)18)20-9-10-23-14-6-4-13(22-2)5-7-14/h3-8,11,20H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide?
2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide has a molecular weight of 334.80 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(4-methoxyphenoxy)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 47064308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).