N-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide

C16H17Cl2F2NO2 — CID 170579304

IUPACN-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide
SMILESCC(=O)N[C@H](c1c(F)c(O)cc(Cl)c1Cl)C12CCC(F)(CC1)C2
InChIInChI=1S/C16H17Cl2F2NO2/c1-8(22)21-14(15-2-4-16(20,7-15)5-3-15)11-12(18)9(17)6-10(23)13(11)19/h6,14,23H,2-5,7H2,1H3,(H,21,22)/t14-,15?,16?/m1/s1
InChIKeyLKDQTOZHDHNFPF-QQFBHYJXSA-N
MW364.22 g/mol
LogP4.69
Rot. Bonds3

About N-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide

N-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide (PubChem CID 170579304) has the molecular formula C16H17Cl2F2NO2 and a molecular weight of 364.22 g/mol. Its IUPAC name is N-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide
PubChem CID170579304
Molecular FormulaC16H17Cl2F2NO2
Molecular Weight364.22 g/mol
Exact Mass363.06
IUPAC NameN-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide
SMILESCC(=O)N[C@H](c1c(F)c(O)cc(Cl)c1Cl)C12CCC(F)(CC1)C2
InChIInChI=1S/C16H17Cl2F2NO2/c1-8(22)21-14(15-2-4-16(20,7-15)5-3-15)11-12(18)9(17)6-10(23)13(11)19/h6,14,23H,2-5,7H2,1H3,(H,21,22)/t14-,15?,16?/m1/s1
InChIKeyLKDQTOZHDHNFPF-QQFBHYJXSA-N
XLogP4.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide?
The IUPAC name of N-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide (CID 170579304) is N-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide.
What is the SMILES notation for N-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide?
The canonical SMILES for N-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide is CC(=O)N[C@H](c1c(F)c(O)cc(Cl)c1Cl)C12CCC(F)(CC1)C2.
What is the InChIKey of N-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide?
The InChIKey is LKDQTOZHDHNFPF-QQFBHYJXSA-N. The full InChI is InChI=1S/C16H17Cl2F2NO2/c1-8(22)21-14(15-2-4-16(20,7-15)5-3-15)11-12(18)9(17)6-10(23)13(11)19/h6,14,23H,2-5,7H2,1H3,(H,21,22)/t14-,15?,16?/m1/s1.
What are the key properties of N-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide?
N-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide has a molecular weight of 364.22 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2,3-dichloro-6-fluoro-5-hydroxyphenyl)-(4-fluoro-1-bicyclo[2.2.1]heptanyl)methyl]acetamide is sourced from PubChem (CID 170579304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).