3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide

C26H27FN2O3 — CID 46045658

IUPAC3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C26H27FN2O3/c1-18(2)28-25(30)15-19-7-11-23(12-8-19)29(17-20-9-13-24(32-3)14-10-20)26(31)21-5-4-6-22(27)16-21/h4-14,16,18H,15,17H2,1-3H3,(H,28,30)
InChIKeyRFKWURZSRKGSCF-UHFFFAOYSA-N
MW434.51 g/mol
LogP4.75
Rot. Bonds8

About 3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide

3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide (PubChem CID 46045658) has the molecular formula C26H27FN2O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is 3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
PubChem CID46045658
Molecular FormulaC26H27FN2O3
Molecular Weight434.51 g/mol
Exact Mass434.20
IUPAC Name3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C26H27FN2O3/c1-18(2)28-25(30)15-19-7-11-23(12-8-19)29(17-20-9-13-24(32-3)14-10-20)26(31)21-5-4-6-22(27)16-21/h4-14,16,18H,15,17H2,1-3H3,(H,28,30)
InChIKeyRFKWURZSRKGSCF-UHFFFAOYSA-N
XLogP4.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987122
N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987108
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46045906
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
N-[(3-fluorophenyl)methyl]-3-methoxy-N-[4-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]phenyl]benzamide
CID 93291337
N-[(3-fluorophenyl)methyl]-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46045951
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46045890
N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052545
3-fluoro-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46045747
N-benzyl-3-fluoro-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 46046079

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide (CID 46045658) is 3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide is COc1ccc(CN(C(=O)c2cccc(F)c2)c2ccc(CC(=O)NC(C)C)cc2)cc1.
What is the InChIKey of 3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?
The InChIKey is RFKWURZSRKGSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O3/c1-18(2)28-25(30)15-19-7-11-23(12-8-19)29(17-20-9-13-24(32-3)14-10-20)26(31)21-5-4-6-22(27)16-21/h4-14,16,18H,15,17H2,1-3H3,(H,28,30).
What are the key properties of 3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?
3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide has a molecular weight of 434.51 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 46045658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).