N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide

C11H12ClFN2O — CID 79285958

IUPACN-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H12ClFN2O/c1-2-5-14-7-11(16)15-8-3-4-9(12)10(13)6-8/h2-4,6,14H,1,5,7H2,(H,15,16)
InChIKeyGYYAUDUCFBYCBH-UHFFFAOYSA-N
MW242.68 g/mol
LogP2.19
Rot. Bonds5

About N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide

N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide (PubChem CID 79285958) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
PubChem CID79285958
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC NameN-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C11H12ClFN2O/c1-2-5-14-7-11(16)15-8-3-4-9(12)10(13)6-8/h2-4,6,14H,1,5,7H2,(H,15,16)
InChIKeyGYYAUDUCFBYCBH-UHFFFAOYSA-N
XLogP2.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide
CID 79278789
N-(4-bromo-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79279349
2-fluoro-5-[[2-(prop-2-enylamino)acetyl]amino]benzoic acid
CID 79285678
2-(4-chloro-3-fluoroanilino)-N-(4-chlorophenyl)acetamide
CID 47313465
methyl 2-fluoro-5-[[2-(prop-2-enylamino)acetyl]amino]benzoate
CID 79286322
N-[4-chloro-3-[[2-(prop-2-enylamino)acetyl]amino]phenyl]butanamide
CID 54818293
2-(4-chloro-3-fluoroanilino)-N-(4-methylphenyl)acetamide
CID 60536545
N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285856
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285393
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353
N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide
CID 107025056
2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
CID 54924903

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide (CID 79285958) is N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is GYYAUDUCFBYCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c1-2-5-14-7-11(16)15-8-3-4-9(12)10(13)6-8/h2-4,6,14H,1,5,7H2,(H,15,16).
What are the key properties of N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide?
N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 242.68 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).