N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide

C25H27FN2O3 — CID 60537379

IUPACN-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
SMILESCCOc1ccc(NC(=O)CNC(c2ccccc2)c2ccc(F)cc2)cc1OCC
InChIInChI=1S/C25H27FN2O3/c1-3-30-22-15-14-21(16-23(22)31-4-2)28-24(29)17-27-25(18-8-6-5-7-9-18)19-10-12-20(26)13-11-19/h5-16,25,27H,3-4,17H2,1-2H3,(H,28,29)
InChIKeyABHQVRDXIVHKCF-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.94
Rot. Bonds10

About N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide

N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide (PubChem CID 60537379) has the molecular formula C25H27FN2O3 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
PubChem CID60537379
Molecular FormulaC25H27FN2O3
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC NameN-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
SMILESCCOc1ccc(NC(=O)CNC(c2ccccc2)c2ccc(F)cc2)cc1OCC
InChIInChI=1S/C25H27FN2O3/c1-3-30-22-15-14-21(16-23(22)31-4-2)28-24(29)17-27-25(18-8-6-5-7-9-18)19-10-12-20(26)13-11-19/h5-16,25,27H,3-4,17H2,1-2H3,(H,28,29)
InChIKeyABHQVRDXIVHKCF-UHFFFAOYSA-N
XLogP4.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-diethoxyphenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8755542
2-(benzhydrylamino)-N-(2,5-diethoxyphenyl)acetamide
CID 24565254
2-[[(4-fluorophenyl)-phenylmethyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 60537329
N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393342
4-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 60537205
N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537047
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046452
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
2-anilino-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 60927630
N-(2-chloro-4-fluorophenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60536996

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide (CID 60537379) is N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide is CCOc1ccc(NC(=O)CNC(c2ccccc2)c2ccc(F)cc2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide?
The InChIKey is ABHQVRDXIVHKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O3/c1-3-30-22-15-14-21(16-23(22)31-4-2)28-24(29)17-27-25(18-8-6-5-7-9-18)19-10-12-20(26)13-11-19/h5-16,25,27H,3-4,17H2,1-2H3,(H,28,29).
What are the key properties of N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide?
N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide has a molecular weight of 422.50 g/mol, XLogP of 4.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide is sourced from PubChem (CID 60537379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).