2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide

C21H14F5NO2 — CID 2190610

IUPAC2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
SMILESCOc1ccc([C@H](NC(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccccc2)cc1
InChIInChI=1S/C21H14F5NO2/c1-29-13-9-7-12(8-10-13)20(11-5-3-2-4-6-11)27-21(28)14-15(22)17(24)19(26)18(25)16(14)23/h2-10,20H,1H3,(H,27,28)/t20-/m1/s1
InChIKeyXJFOPETVCVSASX-HXUWFJFHSA-N
MW407.34 g/mol
LogP4.91
Rot. Bonds5

About 2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide

2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide (PubChem CID 2190610) has the molecular formula C21H14F5NO2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
PubChem CID2190610
Molecular FormulaC21H14F5NO2
Molecular Weight407.34 g/mol
Exact Mass407.09
IUPAC Name2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
SMILESCOc1ccc([C@H](NC(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccccc2)cc1
InChIInChI=1S/C21H14F5NO2/c1-29-13-9-7-12(8-10-13)20(11-5-3-2-4-6-11)27-21(28)14-15(22)17(24)19(26)18(25)16(14)23/h2-10,20H,1H3,(H,27,28)/t20-/m1/s1
InChIKeyXJFOPETVCVSASX-HXUWFJFHSA-N
XLogP4.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
CID 101077412
2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide
CID 51596087
1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea
CID 38273727
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide
CID 46523092

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide (CID 2190610) is 2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide is COc1ccc([C@H](NC(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccccc2)cc1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide?
The InChIKey is XJFOPETVCVSASX-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H14F5NO2/c1-29-13-9-7-12(8-10-13)20(11-5-3-2-4-6-11)27-21(28)14-15(22)17(24)19(26)18(25)16(14)23/h2-10,20H,1H3,(H,27,28)/t20-/m1/s1.
What are the key properties of 2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide?
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide has a molecular weight of 407.34 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 2190610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).