N-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide

C18H18Cl2FNO2 — CID 156570263

IUPACN-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide
SMILESCC(CC(C)c1ccc(O)c(Cl)c1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H18Cl2FNO2/c1-10(12-3-6-17(23)15(20)8-12)7-11(2)18(24)22-13-4-5-16(21)14(19)9-13/h3-6,8-11,23H,7H2,1-2H3,(H,22,24)
InChIKeyDPMIBOHFTOLOIF-UHFFFAOYSA-N
MW370.25 g/mol
LogP5.61
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide

N-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide (PubChem CID 156570263) has the molecular formula C18H18Cl2FNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide
PubChem CID156570263
Molecular FormulaC18H18Cl2FNO2
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide
SMILESCC(CC(C)c1ccc(O)c(Cl)c1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H18Cl2FNO2/c1-10(12-3-6-17(23)15(20)8-12)7-11(2)18(24)22-13-4-5-16(21)14(19)9-13/h3-6,8-11,23H,7H2,1-2H3,(H,22,24)
InChIKeyDPMIBOHFTOLOIF-UHFFFAOYSA-N
XLogP5.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.25
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide (CID 156570263) is N-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide is CC(CC(C)c1ccc(O)c(Cl)c1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide?
The InChIKey is DPMIBOHFTOLOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2FNO2/c1-10(12-3-6-17(23)15(20)8-12)7-11(2)18(24)22-13-4-5-16(21)14(19)9-13/h3-6,8-11,23H,7H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide?
N-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide has a molecular weight of 370.25 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(3-chloro-4-hydroxyphenyl)-2-methylpentanamide is sourced from PubChem (CID 156570263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).