N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide

C25H28F4N2O2 — CID 42862529

IUPACN-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(CC1CN(Cc2ccc(C(F)(F)F)cc2)CCO1)C1CCCC1
InChIInChI=1S/C25H28F4N2O2/c26-21-11-7-19(8-12-21)24(32)31(22-3-1-2-4-22)17-23-16-30(13-14-33-23)15-18-5-9-20(10-6-18)25(27,28)29/h5-12,22-23H,1-4,13-17H2
InChIKeyMEQYFWNIQUOIQH-UHFFFAOYSA-N
MW464.50 g/mol
LogP5.13
Rot. Bonds6

About N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide

N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide (PubChem CID 42862529) has the molecular formula C25H28F4N2O2 and a molecular weight of 464.50 g/mol. Its IUPAC name is N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
PubChem CID42862529
Molecular FormulaC25H28F4N2O2
Molecular Weight464.50 g/mol
Exact Mass464.21
IUPAC NameN-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(CC1CN(Cc2ccc(C(F)(F)F)cc2)CCO1)C1CCCC1
InChIInChI=1S/C25H28F4N2O2/c26-21-11-7-19(8-12-21)24(32)31(22-3-1-2-4-22)17-23-16-30(13-14-33-23)15-18-5-9-20(10-6-18)25(27,28)29/h5-12,22-23H,1-4,13-17H2
InChIKeyMEQYFWNIQUOIQH-UHFFFAOYSA-N
XLogP5.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989858
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989874
N-cyclopentyl-N-[[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-fluorobenzamide
CID 42862531
N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 42862141
N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 92989898
N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862421
N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861743
4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 46041263
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 42862510
N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide
CID 42862616
N-cyclopentyl-N-[[4-(furan-2-ylmethyl)morpholin-2-yl]methyl]-4-methoxybenzamide
CID 42862547
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide?
The IUPAC name of N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide (CID 42862529) is N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide is O=C(c1ccc(F)cc1)N(CC1CN(Cc2ccc(C(F)(F)F)cc2)CCO1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide?
The InChIKey is MEQYFWNIQUOIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4N2O2/c26-21-11-7-19(8-12-21)24(32)31(22-3-1-2-4-22)17-23-16-30(13-14-33-23)15-18-5-9-20(10-6-18)25(27,28)29/h5-12,22-23H,1-4,13-17H2.
What are the key properties of N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide?
N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide has a molecular weight of 464.50 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 42862529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).