3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide

C17H16Cl2FNO2 — CID 57226302

IUPAC3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide
SMILESCC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(F)(CO)C(N)=O
InChIInChI=1S/C17H16Cl2FNO2/c1-16(17(20,10-22)15(21)23,11-2-6-13(18)7-3-11)12-4-8-14(19)9-5-12/h2-9,22H,10H2,1H3,(H2,21,23)
InChIKeyZXYZSTPRCZUYMD-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.49
Rot. Bonds5

About 3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide

3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide (PubChem CID 57226302) has the molecular formula C17H16Cl2FNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide.

Molecular Properties

Compound Name3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide
PubChem CID57226302
Molecular FormulaC17H16Cl2FNO2
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide
SMILESCC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(F)(CO)C(N)=O
InChIInChI=1S/C17H16Cl2FNO2/c1-16(17(20,10-22)15(21)23,11-2-6-13(18)7-3-11)12-4-8-14(19)9-5-12/h2-9,22H,10H2,1H3,(H2,21,23)
InChIKeyZXYZSTPRCZUYMD-UHFFFAOYSA-N
XLogP3.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 141041521
(3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one
CID 125488677
3,3-bis(4-chlorophenyl)-2,2-difluoro-1-phenylbutan-1-one
CID 156695080
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol
CID 146201622
1,1-bis(4-chlorophenyl)ethyl 2,2,2-trifluoroacetate
CID 91751426
ethyl 2-(4-chlorophenyl)-2,3-dimethylbutanoate
CID 117047943
2-(4-chloroanilino)-2-(4-chlorophenyl)butanamide
CID 60992126
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
S-[2-(4-chlorophenyl)-2,2-difluoroethyl] chloromethanethioate
CID 13472733
3-amino-2-(4-chlorophenyl)-2-hydroxy-3-oxopropanoic acid
CID 150243688
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide?
The IUPAC name of 3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide (CID 57226302) is 3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide.
What is the SMILES notation for 3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide?
The canonical SMILES for 3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide is CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)C(F)(CO)C(N)=O.
What is the InChIKey of 3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide?
The InChIKey is ZXYZSTPRCZUYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO2/c1-16(17(20,10-22)15(21)23,11-2-6-13(18)7-3-11)12-4-8-14(19)9-5-12/h2-9,22H,10H2,1H3,(H2,21,23).
What are the key properties of 3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide?
3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide has a molecular weight of 356.22 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-chlorophenyl)-2-fluoro-2-(hydroxymethyl)butanamide is sourced from PubChem (CID 57226302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).