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

C13H17ClN2O — CID 107634612

IUPAC2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Nc1cc(C)ccc1Cl
InChIInChI=1S/C13H17ClN2O/c1-4-7-15-13(17)10(3)16-12-8-9(2)5-6-11(12)14/h4-6,8,10,16H,1,7H2,2-3H3,(H,15,17)
InChIKeyXJUIFNUSZTWTJJ-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.75
Rot. Bonds5

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

2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide (PubChem CID 107634612) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide
PubChem CID107634612
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Nc1cc(C)ccc1Cl
InChIInChI=1S/C13H17ClN2O/c1-4-7-15-13(17)10(3)16-12-8-9(2)5-6-11(12)14/h4-6,8,10,16H,1,7H2,2-3H3,(H,15,17)
InChIKeyXJUIFNUSZTWTJJ-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.75
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-fluoroanilino)-N-prop-2-enylpropanamide
CID 107528240
2-(2-chloro-5-methylanilino)-N-(4-methylphenyl)propanamide
CID 107634761
2-(3-chloro-2-fluoroanilino)-N-prop-2-enylpropanamide
CID 43088899
2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
CID 43087897
2-(2-chloro-5-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107634715
2-[4-chloro-2-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 43088798
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 43087357
2-(5-bromo-2-iodoanilino)-N-prop-2-enylpropanamide
CID 114260277
2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide
CID 107625274
2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide
CID 43113383
2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide (CID 107634612) is 2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Nc1cc(C)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide?
The InChIKey is XJUIFNUSZTWTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-4-7-15-13(17)10(3)16-12-8-9(2)5-6-11(12)14/h4-6,8,10,16H,1,7H2,2-3H3,(H,15,17).
What are the key properties of 2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide?
2-(2-chloro-5-methylanilino)-N-prop-2-enylpropanamide has a molecular weight of 252.74 g/mol, XLogP of 2.75, 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-methylanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 107634612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).