2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide

C24H25FN2O2 — CID 52758428

IUPAC2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc([C@@H](NCC(=O)NCc2ccc(C)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O2/c1-17-3-5-18(6-4-17)15-26-23(28)16-27-24(19-7-11-21(25)12-8-19)20-9-13-22(29-2)14-10-20/h3-14,24,27H,15-16H2,1-2H3,(H,26,28)/t24-/m0/s1
InChIKeyDBSMXVNMZZPBCK-DEOSSOPVSA-N
MW392.47 g/mol
LogP4.14
Rot. Bonds8

About 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide

2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 52758428) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID52758428
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCOc1ccc([C@@H](NCC(=O)NCc2ccc(C)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H25FN2O2/c1-17-3-5-18(6-4-17)15-26-23(28)16-27-24(19-7-11-21(25)12-8-19)20-9-13-22(29-2)14-10-20/h3-14,24,27H,15-16H2,1-2H3,(H,26,28)/t24-/m0/s1
InChIKeyDBSMXVNMZZPBCK-DEOSSOPVSA-N
XLogP4.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9133571
N-[(4-methoxyphenyl)methyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9051908
2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
CID 95619538
2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 52758463
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
methyl 2-(4-fluoro-3-methylphenyl)-2-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetate
CID 86795591
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
2-[2-(4-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997174
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24553132
3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 3536820
3-[(4-fluorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 109021164
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997186

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide (CID 52758428) is 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide is COc1ccc([C@@H](NCC(=O)NCc2ccc(C)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is DBSMXVNMZZPBCK-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-17-3-5-18(6-4-17)15-26-23(28)16-27-24(19-7-11-21(25)12-8-19)20-9-13-22(29-2)14-10-20/h3-14,24,27H,15-16H2,1-2H3,(H,26,28)/t24-/m0/s1.
What are the key properties of 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 392.47 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 52758428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).