2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide

C11H10ClFN2O2 — CID 167744698

IUPAC2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide
SMILESC=C(F)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1
InChIInChI=1S/C11H10ClFN2O2/c1-6(13)10(16)15-7-3-4-9(12)8(5-7)11(17)14-2/h3-5H,1H2,2H3,(H,14,17)(H,15,16)
InChIKeyDQTMLHHXGWMRKD-UHFFFAOYSA-N
MW256.66 g/mol
LogP2.12
Rot. Bonds3

About 2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide

2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide (PubChem CID 167744698) has the molecular formula C11H10ClFN2O2 and a molecular weight of 256.66 g/mol. Its IUPAC name is 2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide
PubChem CID167744698
Molecular FormulaC11H10ClFN2O2
Molecular Weight256.66 g/mol
Exact Mass256.04
IUPAC Name2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide
SMILESC=C(F)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1
InChIInChI=1S/C11H10ClFN2O2/c1-6(13)10(16)15-7-3-4-9(12)8(5-7)11(17)14-2/h3-5H,1H2,2H3,(H,14,17)(H,15,16)
InChIKeyDQTMLHHXGWMRKD-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
2-chloro-N-methyl-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196615
5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 103817189
2-chloro-5-(5-hydroxypentanoylamino)-N-methylbenzamide
CID 79198792
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78981588
2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide
CID 65337999
2-chloro-5-[3-(ethylamino)propanoylamino]-N-methylbenzamide
CID 62835283
N-[4-chloro-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 60926898
N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47068278
5-[4-chloro-3-(methylcarbamoyl)anilino]-3-methyl-5-oxopentanoic acid
CID 62965912
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide?
The IUPAC name of 2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide (CID 167744698) is 2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide is C=C(F)C(=O)Nc1ccc(Cl)c(C(=O)NC)c1.
What is the InChIKey of 2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide?
The InChIKey is DQTMLHHXGWMRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2/c1-6(13)10(16)15-7-3-4-9(12)8(5-7)11(17)14-2/h3-5H,1H2,2H3,(H,14,17)(H,15,16).
What are the key properties of 2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide?
2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide has a molecular weight of 256.66 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-fluoroprop-2-enoylamino)-N-methylbenzamide is sourced from PubChem (CID 167744698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).