4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide

C25H24Cl2FNO3 — CID 66558004

IUPAC4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CO)NC(=O)c1ccc(OC(c2ccc(Cl)cc2)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C25H24Cl2FNO3/c1-15(2)22(14-30)29-25(31)17-9-12-23(21(28)13-17)32-24(16-7-10-18(26)11-8-16)19-5-3-4-6-20(19)27/h3-13,15,22,24,30H,14H2,1-2H3,(H,29,31)
InChIKeyXKFVDKSZRMTUOK-UHFFFAOYSA-N
MW476.38 g/mol
LogP6.05
Rot. Bonds8

About 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide

4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide (PubChem CID 66558004) has the molecular formula C25H24Cl2FNO3 and a molecular weight of 476.38 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
PubChem CID66558004
Molecular FormulaC25H24Cl2FNO3
Molecular Weight476.38 g/mol
Exact Mass475.11
IUPAC Name4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
SMILESCC(C)C(CO)NC(=O)c1ccc(OC(c2ccc(Cl)cc2)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C25H24Cl2FNO3/c1-15(2)22(14-30)29-25(31)17-9-12-23(21(28)13-17)32-24(16-7-10-18(26)11-8-16)19-5-3-4-6-20(19)27/h3-13,15,22,24,30H,14H2,1-2H3,(H,29,31)
InChIKeyXKFVDKSZRMTUOK-UHFFFAOYSA-N
XLogP6.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]-3-fluorobenzoyl]amino]-3-methylbutanoic acid
CID 70810951
4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 70810954
5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249540
4-(2-chloro-4-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 125441906
2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252320
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
4-chloro-3-fluoro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107994502
N-[2-[[(4-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-3-fluoro-4-methoxybenzamide
CID 59689128
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252918
3,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 113254979
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylbenzamide
CID 91660036
2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252938

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide (CID 66558004) is 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide is CC(C)C(CO)NC(=O)c1ccc(OC(c2ccc(Cl)cc2)c2ccccc2Cl)c(F)c1.
What is the InChIKey of 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
The InChIKey is XKFVDKSZRMTUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FNO3/c1-15(2)22(14-30)29-25(31)17-9-12-23(21(28)13-17)32-24(16-7-10-18(26)11-8-16)19-5-3-4-6-20(19)27/h3-13,15,22,24,30H,14H2,1-2H3,(H,29,31).
What are the key properties of 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide?
4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide has a molecular weight of 476.38 g/mol, XLogP of 6.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)-(4-chlorophenyl)methoxy]-3-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 66558004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).