N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide

C16H18ClFN2O2 — CID 110280328

IUPACN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H18ClFN2O2/c1-4-9-20(10-5-2)16(22)11(3)19-15(21)14-12(17)7-6-8-13(14)18/h4-8,11H,1-2,9-10H2,3H3,(H,19,21)
InChIKeyPEBCOAXCBRKHNY-UHFFFAOYSA-N
MW324.78 g/mol
LogP2.80
Rot. Bonds7

About N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide

N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide (PubChem CID 110280328) has the molecular formula C16H18ClFN2O2 and a molecular weight of 324.78 g/mol. Its IUPAC name is N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide
PubChem CID110280328
Molecular FormulaC16H18ClFN2O2
Molecular Weight324.78 g/mol
Exact Mass324.10
IUPAC NameN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H18ClFN2O2/c1-4-9-20(10-5-2)16(22)11(3)19-15(21)14-12(17)7-6-8-13(14)18/h4-8,11H,1-2,9-10H2,3H3,(H,19,21)
InChIKeyPEBCOAXCBRKHNY-UHFFFAOYSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 52.80
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

N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252320
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
2-chloro-6-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254965
2-chloro-6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716588
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanoic acid
CID 42255188
ethyl (2S,3R)-3-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoate
CID 124854483
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanedioic acid
CID 113226112
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide
CID 61119070
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-6-fluorobenzamide
CID 106183426

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide (CID 110280328) is N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide is C=CCN(CC=C)C(=O)C(C)NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide?
The InChIKey is PEBCOAXCBRKHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O2/c1-4-9-20(10-5-2)16(22)11(3)19-15(21)14-12(17)7-6-8-13(14)18/h4-8,11H,1-2,9-10H2,3H3,(H,19,21).
What are the key properties of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide?
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide has a molecular weight of 324.78 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 110280328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).