N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide

C24H26F2N2O3 — CID 42861770

IUPACN-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide
SMILESO=C(c1ccc(F)cc1F)N1CCOC(CN(C(=O)c2ccccc2)C2CCCC2)C1
InChIInChI=1S/C24H26F2N2O3/c25-18-10-11-21(22(26)14-18)24(30)27-12-13-31-20(15-27)16-28(19-8-4-5-9-19)23(29)17-6-2-1-3-7-17/h1-3,6-7,10-11,14,19-20H,4-5,8-9,12-13,15-16H2
InChIKeyHANTUXIHHZDEEU-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.89
Rot. Bonds5

About N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide

N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide (PubChem CID 42861770) has the molecular formula C24H26F2N2O3 and a molecular weight of 428.48 g/mol. Its IUPAC name is N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide
PubChem CID42861770
Molecular FormulaC24H26F2N2O3
Molecular Weight428.48 g/mol
Exact Mass428.19
IUPAC NameN-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide
SMILESO=C(c1ccc(F)cc1F)N1CCOC(CN(C(=O)c2ccccc2)C2CCCC2)C1
InChIInChI=1S/C24H26F2N2O3/c25-18-10-11-21(22(26)14-18)24(30)27-12-13-31-20(15-27)16-28(19-8-4-5-9-19)23(29)17-6-2-1-3-7-17/h1-3,6-7,10-11,14,19-20H,4-5,8-9,12-13,15-16H2
InChIKeyHANTUXIHHZDEEU-UHFFFAOYSA-N
XLogP3.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-fluoro-N-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 42861743
N-cyclopentyl-4-fluoro-N-[[4-(quinoxaline-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861747
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42861726
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide
CID 42861711
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46059905
N-[[(2S)-4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 93338336
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-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 46059920
N-cyclopentyl-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-4-methoxybenzamide
CID 42862616
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(2,4-difluorophenyl)methanone
CID 71955615
(2,4-difluorophenyl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42849221

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide (CID 42861770) is N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide is O=C(c1ccc(F)cc1F)N1CCOC(CN(C(=O)c2ccccc2)C2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is HANTUXIHHZDEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O3/c25-18-10-11-21(22(26)14-18)24(30)27-12-13-31-20(15-27)16-28(19-8-4-5-9-19)23(29)17-6-2-1-3-7-17/h1-3,6-7,10-11,14,19-20H,4-5,8-9,12-13,15-16H2.
What are the key properties of N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide?
N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 428.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 42861770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).