2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide

C12H14ClFN2O — CID 107528240

IUPAC2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H14ClFN2O/c1-3-6-15-12(17)8(2)16-11-7-9(14)4-5-10(11)13/h3-5,7-8,16H,1,6H2,2H3,(H,15,17)
InChIKeyXJNSGVLDQXBXHV-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.58
Rot. Bonds5

About 2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide

2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide (PubChem CID 107528240) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide
PubChem CID107528240
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H14ClFN2O/c1-3-6-15-12(17)8(2)16-11-7-9(14)4-5-10(11)13/h3-5,7-8,16H,1,6H2,2H3,(H,15,17)
InChIKeyXJNSGVLDQXBXHV-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide
CID 107634612
2-(3-chloro-2-fluoroanilino)-N-prop-2-enylpropanamide
CID 43088899
2-(2-chloro-5-fluoroanilino)-N-methylpropanamide
CID 107528161
2-(2-chloro-5-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 107528257
2-[4-chloro-2-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 43088798
2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
CID 43087897
2-(5-fluoro-2-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113491
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 43087357
2-(5-bromo-2-iodoanilino)-N-prop-2-enylpropanamide
CID 114260277
(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
CID 28843279
2-(2-bromo-4-fluoroanilino)-N-ethylpropanamide
CID 43119470
2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide (CID 107528240) is 2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Nc1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide?
The InChIKey is XJNSGVLDQXBXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c1-3-6-15-12(17)8(2)16-11-7-9(14)4-5-10(11)13/h3-5,7-8,16H,1,6H2,2H3,(H,15,17).
What are the key properties of 2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide?
2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide has a molecular weight of 256.71 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoroanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 107528240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).