N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide

C23H26ClFN2O3 — CID 46059599

IUPACN-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC1CN(C(=O)c2ccccc2Cl)CCO1)C(=O)c1cccc(F)c1
InChIInChI=1S/C23H26ClFN2O3/c1-16(2)13-27(22(28)17-6-5-7-18(25)12-17)15-19-14-26(10-11-30-19)23(29)20-8-3-4-9-21(20)24/h3-9,12,16,19H,10-11,13-15H2,1-2H3
InChIKeyGCMSNFCOODYZJM-UHFFFAOYSA-N
MW432.92 g/mol
LogP4.12
Rot. Bonds6

About N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide

N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 46059599) has the molecular formula C23H26ClFN2O3 and a molecular weight of 432.92 g/mol. Its IUPAC name is N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide
PubChem CID46059599
Molecular FormulaC23H26ClFN2O3
Molecular Weight432.92 g/mol
Exact Mass432.16
IUPAC NameN-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC1CN(C(=O)c2ccccc2Cl)CCO1)C(=O)c1cccc(F)c1
InChIInChI=1S/C23H26ClFN2O3/c1-16(2)13-27(22(28)17-6-5-7-18(25)12-17)15-19-14-26(10-11-30-19)23(29)20-8-3-4-9-21(20)24/h3-9,12,16,19H,10-11,13-15H2,1-2H3
InChIKeyGCMSNFCOODYZJM-UHFFFAOYSA-N
XLogP4.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide (CID 46059599) is N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(CC1CN(C(=O)c2ccccc2Cl)CCO1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is GCMSNFCOODYZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O3/c1-16(2)13-27(22(28)17-6-5-7-18(25)12-17)15-19-14-26(10-11-30-19)23(29)20-8-3-4-9-21(20)24/h3-9,12,16,19H,10-11,13-15H2,1-2H3.
What are the key properties of N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide?
N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 432.92 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46059599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).