3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide

C24H21FN2O3 — CID 31710504

IUPAC3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C24H21FN2O3/c25-19-8-12-22(13-9-19)30-21-10-4-16(5-11-21)15-26-23(28)18-2-1-3-20(14-18)27-24(29)17-6-7-17/h1-5,8-14,17H,6-7,15H2,(H,26,28)(H,27,29)
InChIKeyZBRYTIVXCOKESG-UHFFFAOYSA-N
MW404.44 g/mol
LogP4.90
Rot. Bonds7

About 3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide

3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide (PubChem CID 31710504) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
PubChem CID31710504
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Name3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C24H21FN2O3/c25-19-8-12-22(13-9-19)30-21-10-4-16(5-11-21)15-26-23(28)18-2-1-3-20(14-18)27-24(29)17-6-7-17/h1-5,8-14,17H,6-7,15H2,(H,26,28)(H,27,29)
InChIKeyZBRYTIVXCOKESG-UHFFFAOYSA-N
XLogP4.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148460
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
3-(cyclohexanecarbonylamino)-N-[(3-methoxyphenyl)methyl]benzamide
CID 39906130
3-(4-fluorophenoxy)propyl 3-(cyclopropanecarbonylamino)benzoate
CID 32961243
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054682
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 71919015
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119384006
2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide
CID 17493855

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide (CID 31710504) is 3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide is O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide?
The InChIKey is ZBRYTIVXCOKESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c25-19-8-12-22(13-9-19)30-21-10-4-16(5-11-21)15-26-23(28)18-2-1-3-20(14-18)27-24(29)17-6-7-17/h1-5,8-14,17H,6-7,15H2,(H,26,28)(H,27,29).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide?
3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide has a molecular weight of 404.44 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 31710504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).