N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide

C12H12Cl2F2N2O2 — CID 79285393

IUPACN-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H12Cl2F2N2O2/c1-2-3-17-6-10(19)18-7-4-8(13)11(9(14)5-7)20-12(15)16/h2,4-5,12,17H,1,3,6H2,(H,18,19)
InChIKeyHMJQXJFAFMYILK-UHFFFAOYSA-N
MW325.14 g/mol
LogP3.31
Rot. Bonds7

About N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide

N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79285393) has the molecular formula C12H12Cl2F2N2O2 and a molecular weight of 325.14 g/mol. Its IUPAC name is N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide
PubChem CID79285393
Molecular FormulaC12H12Cl2F2N2O2
Molecular Weight325.14 g/mol
Exact Mass324.02
IUPAC NameN-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H12Cl2F2N2O2/c1-2-3-17-6-10(19)18-7-4-8(13)11(9(14)5-7)20-12(15)16/h2,4-5,12,17H,1,3,6H2,(H,18,19)
InChIKeyHMJQXJFAFMYILK-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide
CID 54867408
N-(4-chloro-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79285958
2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide
CID 79843771
2-(prop-2-enylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 78908488
N-[4-chloro-3-[[2-(prop-2-enylamino)acetyl]amino]phenyl]butanamide
CID 54818293
N-(2-chlorophenyl)-2-(prop-2-enylamino)acetamide
CID 28563439
tert-butyl N-[3,5-dichloro-4-(difluoromethoxy)phenyl]carbamate
CID 65142779
N-(3-fluoro-4-hydroxyphenyl)-2-(prop-2-enylamino)acetamide
CID 79278789
2-(2,5-dichloroanilino)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 26417029
N-(2-chloro-5-nitrophenyl)-2-(prop-2-enylamino)acetamide
CID 71627699
N-(4-bromo-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79279349
2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887947

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide (CID 79285393) is N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is HMJQXJFAFMYILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2F2N2O2/c1-2-3-17-6-10(19)18-7-4-8(13)11(9(14)5-7)20-12(15)16/h2,4-5,12,17H,1,3,6H2,(H,18,19).
What are the key properties of N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide?
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 325.14 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).