5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide

C17H25ClN2O3 — CID 46607912

IUPAC5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide
SMILESCC(C)CCCC(C)NC(=O)COc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C17H25ClN2O3/c1-11(2)5-4-6-12(3)20-16(21)10-23-15-8-7-13(18)9-14(15)17(19)22/h7-9,11-12H,4-6,10H2,1-3H3,(H2,19,22)(H,20,21)
InChIKeyOBAIKSXAYQFNFZ-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.15
Rot. Bonds9

About 5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide

5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide (PubChem CID 46607912) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide
PubChem CID46607912
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide
SMILESCC(C)CCCC(C)NC(=O)COc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C17H25ClN2O3/c1-11(2)5-4-6-12(3)20-16(21)10-23-15-8-7-13(18)9-14(15)17(19)22/h7-9,11-12H,4-6,10H2,1-3H3,(H2,19,22)(H,20,21)
InChIKeyOBAIKSXAYQFNFZ-UHFFFAOYSA-N
XLogP3.15
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702
2-(2-carbamothioyl-5-chlorophenoxy)-N-pentan-2-ylacetamide
CID 114323209
methyl 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-5-chlorobenzoate
CID 94172138
2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 26217578
5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide
CID 2287612
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 120508613
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7167774
5-chloro-2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethoxy]benzamide
CID 46607988
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
2-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 4884296
2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 8566643

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide?
The IUPAC name of 5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide (CID 46607912) is 5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for 5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for 5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide is CC(C)CCCC(C)NC(=O)COc1ccc(Cl)cc1C(N)=O.
What is the InChIKey of 5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide?
The InChIKey is OBAIKSXAYQFNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-11(2)5-4-6-12(3)20-16(21)10-23-15-8-7-13(18)9-14(15)17(19)22/h7-9,11-12H,4-6,10H2,1-3H3,(H2,19,22)(H,20,21).
What are the key properties of 5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide?
5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide has a molecular weight of 340.85 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-(6-methylheptan-2-ylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 46607912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).