N-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide

C19H18ClF2N3O2 — CID 89282308

IUPACN-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCn2c(C(F)F)cc3c(Cl)c(N)ccc32)cc1
InChIInChI=1S/C19H18ClF2N3O2/c1-11(26)24-12-2-4-13(5-3-12)27-9-8-25-16-7-6-15(23)18(20)14(16)10-17(25)19(21)22/h2-7,10,19H,8-9,23H2,1H3,(H,24,26)
InChIKeyRXZWGFPHWJDVOB-UHFFFAOYSA-N
MW393.82 g/mol
LogP4.85
Rot. Bonds6

About N-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide

N-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide (PubChem CID 89282308) has the molecular formula C19H18ClF2N3O2 and a molecular weight of 393.82 g/mol. Its IUPAC name is N-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide
PubChem CID89282308
Molecular FormulaC19H18ClF2N3O2
Molecular Weight393.82 g/mol
Exact Mass393.11
IUPAC NameN-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OCCn2c(C(F)F)cc3c(Cl)c(N)ccc32)cc1
InChIInChI=1S/C19H18ClF2N3O2/c1-11(26)24-12-2-4-13(5-3-12)27-9-8-25-16-7-6-15(23)18(20)14(16)10-17(25)19(21)22/h2-7,10,19H,8-9,23H2,1H3,(H,24,26)
InChIKeyRXZWGFPHWJDVOB-UHFFFAOYSA-N
XLogP4.85
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 1717907
CID 1717907
CID 4611607
CID 4611607
CID 121278151
CID 121278151
CID 5087002
CID 5087002
CID 2101483
CID 2101483
CID 9912442
CID 9912442
CID 9983269
CID 9983269
CID 16037998
CID 16037998
CID 24983676
CID 24983676
CID 57800201
CID 57800201
CID 57800224
CID 57800224
CID 57800328
CID 57800328

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide?
The IUPAC name of N-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide (CID 89282308) is N-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide is CC(=O)Nc1ccc(OCCn2c(C(F)F)cc3c(Cl)c(N)ccc32)cc1.
What is the InChIKey of N-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide?
The InChIKey is RXZWGFPHWJDVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N3O2/c1-11(26)24-12-2-4-13(5-3-12)27-9-8-25-16-7-6-15(23)18(20)14(16)10-17(25)19(21)22/h2-7,10,19H,8-9,23H2,1H3,(H,24,26).
What are the key properties of N-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide?
N-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide has a molecular weight of 393.82 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[5-amino-4-chloro-2-(difluoromethyl)indol-1-yl]ethoxy]phenyl]acetamide is sourced from PubChem (CID 89282308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).