2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide

C17H24ClNO2 — CID 54390814

IUPAC2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1c(Cl)cccc1OC(CC)(CC)CC
InChIInChI=1S/C17H24ClNO2/c1-5-12-19-16(20)15-13(18)10-9-11-14(15)21-17(6-2,7-3)8-4/h5,9-11H,1,6-8,12H2,2-4H3,(H,19,20)
InChIKeyVGMQBLLLSPBNOF-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.60
Rot. Bonds8

About 2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide

2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide (PubChem CID 54390814) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide
PubChem CID54390814
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1c(Cl)cccc1OC(CC)(CC)CC
InChIInChI=1S/C17H24ClNO2/c1-5-12-19-16(20)15-13(18)10-9-11-14(15)21-17(6-2,7-3)8-4/h5,9-11H,1,6-8,12H2,2-4H3,(H,19,20)
InChIKeyVGMQBLLLSPBNOF-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide
CID 67677744
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
2-amino-6-chloro-N-prop-2-enylbenzamide
CID 63658592
2-chloro-N-prop-2-enyl-6-trimethylsilylbenzamide
CID 18630326
4-chloro-2-methyl-N-prop-2-enyl-1H-indole-3-carboxamide
CID 110848103
2-methoxy-6-nitro-N-prop-2-enylbenzamide
CID 81420346
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
2-(3-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 60791308
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 103292336
2-[[(2,6-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115429500
3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
CID 30155712
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide?
The IUPAC name of 2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide (CID 54390814) is 2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide?
The canonical SMILES for 2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide is C=CCNC(=O)c1c(Cl)cccc1OC(CC)(CC)CC.
What is the InChIKey of 2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide?
The InChIKey is VGMQBLLLSPBNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-5-12-19-16(20)15-13(18)10-9-11-14(15)21-17(6-2,7-3)8-4/h5,9-11H,1,6-8,12H2,2-4H3,(H,19,20).
What are the key properties of 2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide?
2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide has a molecular weight of 309.84 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-ethylpentan-3-yloxy)-N-prop-2-enylbenzamide is sourced from PubChem (CID 54390814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).