5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide

C16H21ClN2O3 — CID 9463555

IUPAC5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)NCC1CCCCC1
InChIInChI=1S/C16H21ClN2O3/c17-12-6-7-14(13(8-12)16(18)21)22-10-15(20)19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H2,18,21)(H,19,20)
InChIKeyHVNIDVLIIFKXSP-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.51
Rot. Bonds6

About 5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide

5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide (PubChem CID 9463555) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
PubChem CID9463555
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)NCC1CCCCC1
InChIInChI=1S/C16H21ClN2O3/c17-12-6-7-14(13(8-12)16(18)21)22-10-15(20)19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H2,18,21)(H,19,20)
InChIKeyHVNIDVLIIFKXSP-UHFFFAOYSA-N
XLogP2.51
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246
2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 26217578
4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
CID 61379355
5-chloro-2-[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide
CID 9362464
5-chloro-2-[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]benzamide
CID 11939659
5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921961
2-(2-acetyl-4-fluorophenoxy)-N-(cyclohexylmethyl)acetamide
CID 112774632
2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide
CID 7653172
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365
2-(azetidin-3-ylmethoxy)-5-chlorobenzamide
CID 71133700

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide?
The IUPAC name of 5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide (CID 9463555) is 5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for 5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide is NC(=O)c1cc(Cl)ccc1OCC(=O)NCC1CCCCC1.
What is the InChIKey of 5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide?
The InChIKey is HVNIDVLIIFKXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c17-12-6-7-14(13(8-12)16(18)21)22-10-15(20)19-9-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10H2,(H2,18,21)(H,19,20).
What are the key properties of 5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide?
5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide has a molecular weight of 324.81 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 9463555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).