N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide

C23H22FNO3 — CID 7271249

IUPACN-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O
InChIInChI=1S/C23H22FNO3/c24-19-11-9-16(10-12-19)13-25(23(27)17-5-1-2-6-17)14-18-15-28-21-8-4-3-7-20(21)22(18)26/h3-4,7-12,15,17H,1-2,5-6,13-14H2
InChIKeyURWXUKWMAFNTQN-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.65
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide

N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide (PubChem CID 7271249) has the molecular formula C23H22FNO3 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide
PubChem CID7271249
Molecular FormulaC23H22FNO3
Molecular Weight379.43 g/mol
Exact Mass379.16
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O
InChIInChI=1S/C23H22FNO3/c24-19-11-9-16(10-12-19)13-25(23(27)17-5-1-2-6-17)14-18-15-28-21-8-4-3-7-20(21)22(18)26/h3-4,7-12,15,17H,1-2,5-6,13-14H2
InChIKeyURWXUKWMAFNTQN-UHFFFAOYSA-N
XLogP4.65
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-[(4-fluorophenyl)methyl]-1-[(4-oxochromen-3-yl)methyl]urea
CID 42783942
2-(4-fluorophenyl)-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 4288049
3-(3-fluorophenyl)-1-[(4-fluorophenyl)methyl]-1-[(4-oxochromen-3-yl)methyl]urea
CID 42783945
3-butyl-1-[(4-fluorophenyl)methyl]-1-[(4-oxochromen-3-yl)methyl]urea
CID 42783939
N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-prop-2-enylcyclopropane-1-carboxamide
CID 3893298
3-fluoro-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3936554
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 110190860
N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 3663024
2-[acetyl(3-methylbutyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]acetamide
CID 4042625
2-[acetyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]acetamide
CID 4181749
4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)benzamide
CID 5116613
N-[2-[(4-fluorophenyl)methyl-[(4-oxochromen-3-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylbutanamide
CID 3687211

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide (CID 7271249) is N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide is O=C(C1CCCC1)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide?
The InChIKey is URWXUKWMAFNTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO3/c24-19-11-9-16(10-12-19)13-25(23(27)17-5-1-2-6-17)14-18-15-28-21-8-4-3-7-20(21)22(18)26/h3-4,7-12,15,17H,1-2,5-6,13-14H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide?
N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide has a molecular weight of 379.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[(4-oxochromen-3-yl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 7271249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).