4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide

C20H17ClN2O3 — CID 9230997

IUPAC4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)COc2ccc(Cl)c3ccccc23)cc1
InChIInChI=1S/C20H17ClN2O3/c1-22-20(25)13-6-8-14(9-7-13)23-19(24)12-26-18-11-10-17(21)15-4-2-3-5-16(15)18/h2-11H,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyWZVDDHNBHIVCDY-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.87
Rot. Bonds5

About 4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide

4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide (PubChem CID 9230997) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide
PubChem CID9230997
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)COc2ccc(Cl)c3ccccc23)cc1
InChIInChI=1S/C20H17ClN2O3/c1-22-20(25)13-6-8-14(9-7-13)23-19(24)12-26-18-11-10-17(21)15-4-2-3-5-16(15)18/h2-11H,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyWZVDDHNBHIVCDY-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloronaphthalen-1-yl)oxy-N-(4-propan-2-ylphenyl)acetamide
CID 7916182
4-[[2-(2,3-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9286555
4-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-methylbenzamide
CID 24605889
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9289895
2-(4-chloronaphthalen-1-yl)oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7916235
3-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-ethylbenzamide
CID 26000335
2-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8021473
2-(4-chloronaphthalen-1-yl)oxy-N-methoxyacetamide
CID 27745141
4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221634
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218233
3-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8578482

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide (CID 9230997) is 4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)COc2ccc(Cl)c3ccccc23)cc1.
What is the InChIKey of 4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide?
The InChIKey is WZVDDHNBHIVCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-22-20(25)13-6-8-14(9-7-13)23-19(24)12-26-18-11-10-17(21)15-4-2-3-5-16(15)18/h2-11H,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide?
4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide has a molecular weight of 368.82 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloronaphthalen-1-yl)oxyacetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 9230997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).