2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide

C10H8Cl2FNO — CID 115636603

IUPAC2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
SMILESC=C(Cl)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C10H8Cl2FNO/c1-6(11)5-14-10(15)9-7(12)3-2-4-8(9)13/h2-4H,1,5H2,(H,14,15)
InChIKeyDDQZJBMAKDEKEP-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.96
Rot. Bonds3

About 2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide

2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide (PubChem CID 115636603) has the molecular formula C10H8Cl2FNO and a molecular weight of 248.08 g/mol. Its IUPAC name is 2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
PubChem CID115636603
Molecular FormulaC10H8Cl2FNO
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
SMILESC=C(Cl)CNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C10H8Cl2FNO/c1-6(11)5-14-10(15)9-7(12)3-2-4-8(9)13/h2-4H,1,5H2,(H,14,15)
InChIKeyDDQZJBMAKDEKEP-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
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2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
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2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
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2-chloro-N-(cyanomethyl)-6-fluorobenzamide
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8-[(2-chloro-6-fluorobenzoyl)amino]octanoic acid
CID 10663193
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
2-chloro-6-fluoro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
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benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 36949186
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
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CID 107321928

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide (CID 115636603) is 2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide is C=C(Cl)CNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide?
The InChIKey is DDQZJBMAKDEKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FNO/c1-6(11)5-14-10(15)9-7(12)3-2-4-8(9)13/h2-4H,1,5H2,(H,14,15).
What are the key properties of 2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide?
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide has a molecular weight of 248.08 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide is sourced from PubChem (CID 115636603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).