4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide

C19H18ClFN2O3 — CID 39940048

IUPAC4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C19H18ClFN2O3/c20-14-3-6-16(17(21)12-14)19(25)22-15-4-1-13(2-5-15)11-18(24)23-7-9-26-10-8-23/h1-6,12H,7-11H2,(H,22,25)
InChIKeyAGFIYZBGMJGPLW-UHFFFAOYSA-N
MW376.82 g/mol
LogP3.13
Rot. Bonds4

About 4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide

4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide (PubChem CID 39940048) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
PubChem CID39940048
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC Name4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C19H18ClFN2O3/c20-14-3-6-16(17(21)12-14)19(25)22-15-4-1-13(2-5-15)11-18(24)23-7-9-26-10-8-23/h1-6,12H,7-11H2,(H,22,25)
InChIKeyAGFIYZBGMJGPLW-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 120620954
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 39939250
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 119712469
2-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056089
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
2-chloro-N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)anilino]-2-oxoethyl]benzamide
CID 39939581
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644
N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide
CID 38274940
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120549290
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide (CID 39940048) is 4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide is O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
The InChIKey is AGFIYZBGMJGPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c20-14-3-6-16(17(21)12-14)19(25)22-15-4-1-13(2-5-15)11-18(24)23-7-9-26-10-8-23/h1-6,12H,7-11H2,(H,22,25).
What are the key properties of 4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide has a molecular weight of 376.82 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide is sourced from PubChem (CID 39940048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).