2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide

C15H17ClN2O3 — CID 7893883

IUPAC2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide
SMILESC=CCN(CC=C)C(=O)COc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C15H17ClN2O3/c1-3-7-18(8-4-2)14(19)10-21-13-6-5-11(16)9-12(13)15(17)20/h3-6,9H,1-2,7-8,10H2,(H2,17,20)
InChIKeyQUTJETOVOHTOQX-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.02
Rot. Bonds8

About 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide

2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide (PubChem CID 7893883) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide
PubChem CID7893883
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide
SMILESC=CCN(CC=C)C(=O)COc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C15H17ClN2O3/c1-3-7-18(8-4-2)14(19)10-21-13-6-5-11(16)9-12(13)15(17)20/h3-6,9H,1-2,7-8,10H2,(H2,17,20)
InChIKeyQUTJETOVOHTOQX-UHFFFAOYSA-N
XLogP2.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-bromobenzoic acid
CID 103601808
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-iodobenzoic acid
CID 78909445
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-3-methoxybenzamide
CID 26217588
2-(2-bromo-4-fluorophenoxy)-N,N-bis(prop-2-enyl)acetamide
CID 78765407
5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 7893868
2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide
CID 112774907
2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 26217578
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
5-chloro-2-(3-cyanopropoxy)benzamide
CID 45257682
N,N-bis(prop-2-enyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 78767913
5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide
CID 7893862
5-chloro-2-(piperidin-4-ylmethoxy)benzamide
CID 62493382

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide?
The IUPAC name of 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide (CID 7893883) is 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide.
What is the SMILES notation for 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide?
The canonical SMILES for 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide is C=CCN(CC=C)C(=O)COc1ccc(Cl)cc1C(N)=O.
What is the InChIKey of 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide?
The InChIKey is QUTJETOVOHTOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-3-7-18(8-4-2)14(19)10-21-13-6-5-11(16)9-12(13)15(17)20/h3-6,9H,1-2,7-8,10H2,(H2,17,20).
What are the key properties of 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide?
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide has a molecular weight of 308.77 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-chlorobenzamide is sourced from PubChem (CID 7893883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).