N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

C18H13ClF2N2O4 — CID 8892189

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C18H13ClF2N2O4/c19-13-9-10(5-6-14(13)27-18(20)21)22-15(24)7-8-23-16(25)11-3-1-2-4-12(11)17(23)26/h1-6,9,18H,7-8H2,(H,22,24)
InChIKeyPHANUVDJLPVCBS-UHFFFAOYSA-N
MW394.76 g/mol
LogP3.57
Rot. Bonds6

About N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 8892189) has the molecular formula C18H13ClF2N2O4 and a molecular weight of 394.76 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID8892189
Molecular FormulaC18H13ClF2N2O4
Molecular Weight394.76 g/mol
Exact Mass394.05
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C18H13ClF2N2O4/c19-13-9-10(5-6-14(13)27-18(20)21)22-15(24)7-8-23-16(25)11-3-1-2-4-12(11)17(23)26/h1-6,9,18H,7-8H2,(H,22,24)
InChIKeyPHANUVDJLPVCBS-UHFFFAOYSA-N
XLogP3.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591915
1-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483030
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxy-3-methylphenyl)propanamide
CID 110776420
3-acetamido-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 16589515
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
2-benzylsulfanyl-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 16527789
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 8696467
N-[3-benzyl-4-(difluoromethoxy)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 24525173
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46643858
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 61259459
N-(4-anilinophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1301535

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 8892189) is N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is PHANUVDJLPVCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O4/c19-13-9-10(5-6-14(13)27-18(20)21)22-15(24)7-8-23-16(25)11-3-1-2-4-12(11)17(23)26/h1-6,9,18H,7-8H2,(H,22,24).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 394.76 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 8892189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).