2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide

C13H17ClN2O2 — CID 43087357

IUPAC2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-4-7-15-13(17)9(2)16-10-5-6-12(18-3)11(14)8-10/h4-6,8-9,16H,1,7H2,2-3H3,(H,15,17)
InChIKeyVYUPOVIAHDBHII-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.45
Rot. Bonds6

About 2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide

2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide (PubChem CID 43087357) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
PubChem CID43087357
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-4-7-15-13(17)9(2)16-10-5-6-12(18-3)11(14)8-10/h4-6,8-9,16H,1,7H2,2-3H3,(H,15,17)
InChIKeyVYUPOVIAHDBHII-UHFFFAOYSA-N
XLogP2.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
N-tert-butyl-2-(3-chloro-4-methoxyanilino)propanamide
CID 43087356
2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088814
(2R)-2-(3-chloro-4-methoxyanilino)propanoic acid
CID 7039116
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
4-N-(3-chloro-4-methoxyphenyl)-1-N-prop-2-enylcyclohexane-1,4-dicarboxamide
CID 109144964
3-chloro-N-hex-5-en-2-yl-4-methoxyaniline
CID 104583800
(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
CID 28843279
2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide
CID 61066639
N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide
CID 47120773

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide (CID 43087357) is 2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide?
The InChIKey is VYUPOVIAHDBHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-4-7-15-13(17)9(2)16-10-5-6-12(18-3)11(14)8-10/h4-6,8-9,16H,1,7H2,2-3H3,(H,15,17).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide?
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide has a molecular weight of 268.74 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 43087357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).