2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide

C18H18Cl2F2N2O — CID 162522701

IUPAC2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide
SMILESCC(C)c1cccc(Cc2c(Cl)cc(NCC(N)=O)c(F)c2Cl)c1F
InChIInChI=1S/C18H18Cl2F2N2O/c1-9(2)11-5-3-4-10(17(11)21)6-12-13(19)7-14(18(22)16(12)20)24-8-15(23)25/h3-5,7,9,24H,6,8H2,1-2H3,(H2,23,25)
InChIKeyRCSRYFAFZRRTBE-UHFFFAOYSA-N
MW387.26 g/mol
LogP4.88
Rot. Bonds6

About 2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide

2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide (PubChem CID 162522701) has the molecular formula C18H18Cl2F2N2O and a molecular weight of 387.26 g/mol. Its IUPAC name is 2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide.

Molecular Properties

Compound Name2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide
PubChem CID162522701
Molecular FormulaC18H18Cl2F2N2O
Molecular Weight387.26 g/mol
Exact Mass386.08
IUPAC Name2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide
SMILESCC(C)c1cccc(Cc2c(Cl)cc(NCC(N)=O)c(F)c2Cl)c1F
InChIInChI=1S/C18H18Cl2F2N2O/c1-9(2)11-5-3-4-10(17(11)21)6-12-13(19)7-14(18(22)16(12)20)24-8-15(23)25/h3-5,7,9,24H,6,8H2,1-2H3,(H2,23,25)
InChIKeyRCSRYFAFZRRTBE-UHFFFAOYSA-N
XLogP4.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide?
The IUPAC name of 2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide (CID 162522701) is 2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide.
What is the SMILES notation for 2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide?
The canonical SMILES for 2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide is CC(C)c1cccc(Cc2c(Cl)cc(NCC(N)=O)c(F)c2Cl)c1F.
What is the InChIKey of 2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide?
The InChIKey is RCSRYFAFZRRTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2F2N2O/c1-9(2)11-5-3-4-10(17(11)21)6-12-13(19)7-14(18(22)16(12)20)24-8-15(23)25/h3-5,7,9,24H,6,8H2,1-2H3,(H2,23,25).
What are the key properties of 2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide?
2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide has a molecular weight of 387.26 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dichloro-2-fluoro-4-[(2-fluoro-3-propan-2-ylphenyl)methyl]anilino]acetamide is sourced from PubChem (CID 162522701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).