3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide

C10H8Cl3F2NO2 — CID 54867408

IUPAC3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide
SMILESO=C(CCCl)Nc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C10H8Cl3F2NO2/c11-2-1-8(17)16-5-3-6(12)9(7(13)4-5)18-10(14)15/h3-4,10H,1-2H2,(H,16,17)
InChIKeyHUMOZUSWCPBOMJ-UHFFFAOYSA-N
MW318.53 g/mol
LogP4.16
Rot. Bonds5

About 3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide

3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide (PubChem CID 54867408) has the molecular formula C10H8Cl3F2NO2 and a molecular weight of 318.53 g/mol. Its IUPAC name is 3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide
PubChem CID54867408
Molecular FormulaC10H8Cl3F2NO2
Molecular Weight318.53 g/mol
Exact Mass316.96
IUPAC Name3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide
SMILESO=C(CCCl)Nc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C10H8Cl3F2NO2/c11-2-1-8(17)16-5-3-6(12)9(7(13)4-5)18-10(14)15/h3-4,10H,1-2H2,(H,16,17)
InChIKeyHUMOZUSWCPBOMJ-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide
CID 79843771
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285393
tert-butyl N-[3,5-dichloro-4-(difluoromethoxy)phenyl]carbamate
CID 65142779
2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887947
1-bromo-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]methanesulfonamide
CID 83086658
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]piperidine-4-carboxamide
CID 60928604
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 63006958
3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 61104305
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 75419422
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 16589515

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide (CID 54867408) is 3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide is O=C(CCCl)Nc1cc(Cl)c(OC(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is HUMOZUSWCPBOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3F2NO2/c11-2-1-8(17)16-5-3-6(12)9(7(13)4-5)18-10(14)15/h3-4,10H,1-2H2,(H,16,17).
What are the key properties of 3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide?
3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 318.53 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 54867408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).