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

C25H29FN2O3 — CID 42861743

IUPACN-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide
SMILESCc1ccccc1C(=O)N1CCOC(CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1
InChIInChI=1S/C25H29FN2O3/c1-18-6-2-5-9-23(18)25(30)27-14-15-31-22(16-27)17-28(21-7-3-4-8-21)24(29)19-10-12-20(26)13-11-19/h2,5-6,9-13,21-22H,3-4,7-8,14-17H2,1H3
InChIKeyJVKHKAUUESPSGJ-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.06
Rot. Bonds5

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

N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide (PubChem CID 42861743) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide
PubChem CID42861743
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC NameN-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide
SMILESCc1ccccc1C(=O)N1CCOC(CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1
InChIInChI=1S/C25H29FN2O3/c1-18-6-2-5-9-23(18)25(30)27-14-15-31-22(16-27)17-28(21-7-3-4-8-21)24(29)19-10-12-20(26)13-11-19/h2,5-6,9-13,21-22H,3-4,7-8,14-17H2,1H3
InChIKeyJVKHKAUUESPSGJ-UHFFFAOYSA-N
XLogP4.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861770
N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861747
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989874
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989858
N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide
CID 42862616
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 93338217
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059702
N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
CID 42862529
N-cyclopentyl-N-[[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-fluorobenzamide
CID 42862531
N-[[4-(2-methoxybenzoyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 42861605
N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862421
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42861726

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide (CID 42861743) is N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide is Cc1ccccc1C(=O)N1CCOC(CN(C(=O)c2ccc(F)cc2)C2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is JVKHKAUUESPSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-18-6-2-5-9-23(18)25(30)27-14-15-31-22(16-27)17-28(21-7-3-4-8-21)24(29)19-10-12-20(26)13-11-19/h2,5-6,9-13,21-22H,3-4,7-8,14-17H2,1H3.
What are the key properties of N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide?
N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 424.52 g/mol, XLogP of 4.06, 5 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-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 42861743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).