2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide

C22H19F2NO2 — CID 51950712

IUPAC2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide
SMILESCOc1ccc([C@@H](NC(=O)C(F)(F)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19F2NO2/c1-27-19-14-12-17(13-15-19)20(16-8-4-2-5-9-16)25-21(26)22(23,24)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,25,26)/t20-/m0/s1
InChIKeySFWAHOJSQVDBKI-FQEVSTJZSA-N
MW367.40 g/mol
LogP4.69
Rot. Bonds6

About 2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide

2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide (PubChem CID 51950712) has the molecular formula C22H19F2NO2 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide
PubChem CID51950712
Molecular FormulaC22H19F2NO2
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide
SMILESCOc1ccc([C@@H](NC(=O)C(F)(F)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H19F2NO2/c1-27-19-14-12-17(13-15-19)20(16-8-4-2-5-9-16)25-21(26)22(23,24)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,25,26)/t20-/m0/s1
InChIKeySFWAHOJSQVDBKI-FQEVSTJZSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)-phenylmethyl]-2,2-diphenylpropanamide
CID 5198788
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
CID 101077412
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
1,1,1-trifluoro-3-(4-methoxyphenyl)-3-phenylpropan-2-one
CID 15893139
[2-[[(S)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] 2-methyl-2-phenylpropanoate
CID 8608961
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide?
The IUPAC name of 2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide (CID 51950712) is 2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide.
What is the SMILES notation for 2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide?
The canonical SMILES for 2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide is COc1ccc([C@@H](NC(=O)C(F)(F)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide?
The InChIKey is SFWAHOJSQVDBKI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H19F2NO2/c1-27-19-14-12-17(13-15-19)20(16-8-4-2-5-9-16)25-21(26)22(23,24)18-10-6-3-7-11-18/h2-15,20H,1H3,(H,25,26)/t20-/m0/s1.
What are the key properties of 2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide?
2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide has a molecular weight of 367.40 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenylacetamide is sourced from PubChem (CID 51950712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).