N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide

C24H21ClF3N3O3 — CID 90456373

IUPACN-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)cc(N2CCOCC2)c1=O
InChIInChI=1S/C24H21ClF3N3O3/c1-30-14-16(12-21(23(30)33)31-7-9-34-10-8-31)19-13-18(5-6-20(19)25)29-22(32)15-3-2-4-17(11-15)24(26,27)28/h2-6,11-14H,7-10H2,1H3,(H,29,32)
InChIKeyYULMIWVPBRHYSJ-UHFFFAOYSA-N
MW491.90 g/mol
LogP4.81
Rot. Bonds4

About N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide

N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 90456373) has the molecular formula C24H21ClF3N3O3 and a molecular weight of 491.90 g/mol. Its IUPAC name is N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID90456373
Molecular FormulaC24H21ClF3N3O3
Molecular Weight491.90 g/mol
Exact Mass491.12
IUPAC NameN-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCn1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)cc(N2CCOCC2)c1=O
InChIInChI=1S/C24H21ClF3N3O3/c1-30-14-16(12-21(23(30)33)31-7-9-34-10-8-31)19-13-18(5-6-20(19)25)29-22(32)15-3-2-4-17(11-15)24(26,27)28/h2-6,11-14H,7-10H2,1H3,(H,29,32)
InChIKeyYULMIWVPBRHYSJ-UHFFFAOYSA-N
XLogP4.81
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.90
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Fominoben
CID 3407
Benzamide, N-(3-chloro-2-((methyl(2-(4-morpholinyl)-2-oxoethyl)amino)methyl)phenyl)-, monohydrochloride
CID 3015003
N-(4-methyl-3-(1-methyl-5-morpholino-6-oxo-1,6-dihydropyridin-3-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 90408889
2-(2-chlorophenyl)-N-(3-methylphenyl)-2-morpholin-4-ylacetamide
CID 3108210
4-Morpholineacetamide, N-(2-benzoyl-4-chlorophenyl)-
CID 173684
3-Chloro-4-(4-Methyl-2-Oxo-1,2-Dihydroquinolin-7-Yl)-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 71576802
N-(4-chlorophenyl)-2-(4-morpholinyl)-2-phenylacetamide
CID 2991805
2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 1328214
N-(4-chlorophenyl)-N'-[3-(4-morpholinylcarbonyl)phenyl]urea
CID 17205433
N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorobenzoyl)-3,4-dihydro-2H-quinoline-2-carboxamide
CID 127043280
N-[3,5-bis(trifluoromethyl)phenyl]-1-(3-chlorobenzoyl)-3,4-dihydro-2H-quinoline-2-carboxamide
CID 127045183
5-amino-2-chloro-4-fluoro-3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-[4-(morpholine-4-carbonyl)phenyl]phenyl]benzamide
CID 156357408

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide (CID 90456373) is N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide is Cn1cc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)cc(N2CCOCC2)c1=O.
What is the InChIKey of N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is YULMIWVPBRHYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3O3/c1-30-14-16(12-21(23(30)33)31-7-9-34-10-8-31)19-13-18(5-6-20(19)25)29-22(32)15-3-2-4-17(11-15)24(26,27)28/h2-6,11-14H,7-10H2,1H3,(H,29,32).
What are the key properties of N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 491.90 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90456373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).