N-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide

C20H20ClFN2O3 — CID 44721418

IUPACN-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
SMILESCC(C(=O)N1CCOCC1)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H20ClFN2O3/c1-14(19(25)23-9-11-27-12-10-23)24(16-7-8-18(22)17(21)13-16)20(26)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3
InChIKeyPLEIDYMJHYDLJR-UHFFFAOYSA-N
MW390.84 g/mol
LogP3.37
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide

N-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide (PubChem CID 44721418) has the molecular formula C20H20ClFN2O3 and a molecular weight of 390.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
PubChem CID44721418
Molecular FormulaC20H20ClFN2O3
Molecular Weight390.84 g/mol
Exact Mass390.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
SMILESCC(C(=O)N1CCOCC1)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H20ClFN2O3/c1-14(19(25)23-9-11-27-12-10-23)24(16-7-8-18(22)17(21)13-16)20(26)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3
InChIKeyPLEIDYMJHYDLJR-UHFFFAOYSA-N
XLogP3.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.84
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide (CID 44721418) is N-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide is CC(C(=O)N1CCOCC1)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
The InChIKey is PLEIDYMJHYDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O3/c1-14(19(25)23-9-11-27-12-10-23)24(16-7-8-18(22)17(21)13-16)20(26)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide?
N-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide has a molecular weight of 390.84 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide is sourced from PubChem (CID 44721418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).