N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide

C24H25FN2O3 — CID 55387354

IUPACN-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
SMILESCOc1ccc(C(NC(=O)CNc2cc(F)ccc2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H25FN2O3/c1-16-4-9-19(25)14-22(16)26-15-23(28)27-24(17-5-10-20(29-2)11-6-17)18-7-12-21(30-3)13-8-18/h4-14,24,26H,15H2,1-3H3,(H,27,28)
InChIKeyRWDCBWYTFYSSCJ-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.47
Rot. Bonds8

About N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide

N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide (PubChem CID 55387354) has the molecular formula C24H25FN2O3 and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
PubChem CID55387354
Molecular FormulaC24H25FN2O3
Molecular Weight408.47 g/mol
Exact Mass408.18
IUPAC NameN-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
SMILESCOc1ccc(C(NC(=O)CNc2cc(F)ccc2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H25FN2O3/c1-16-4-9-19(25)14-22(16)26-15-23(28)27-24(17-5-10-20(29-2)11-6-17)18-7-12-21(30-3)13-8-18/h4-14,24,26H,15H2,1-3H3,(H,27,28)
InChIKeyRWDCBWYTFYSSCJ-UHFFFAOYSA-N
XLogP4.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 9046695
N-[bis(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 18197515
N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
CID 4962456
2-anilino-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 18197509
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
methyl 3-[[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-4-methylbenzoate
CID 32901512
2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 55437408
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenoxy)acetamide
CID 55583125
2-(5-methoxy-2-methylanilino)-N-propylacetamide
CID 113256459
N-carbamoyl-2-(5-methoxy-2-methylanilino)acetamide
CID 113256460
1-(5-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 970666

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide?
The IUPAC name of N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide (CID 55387354) is N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide?
The canonical SMILES for N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide is COc1ccc(C(NC(=O)CNc2cc(F)ccc2C)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide?
The InChIKey is RWDCBWYTFYSSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3/c1-16-4-9-19(25)14-22(16)26-15-23(28)27-24(17-5-10-20(29-2)11-6-17)18-7-12-21(30-3)13-8-18/h4-14,24,26H,15H2,1-3H3,(H,27,28).
What are the key properties of N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide?
N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide has a molecular weight of 408.47 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide is sourced from PubChem (CID 55387354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).