2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide

C17H15ClF2N2O2 — CID 1328214

IUPAC2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C17H15ClF2N2O2/c18-14-10-16(20)15(19)9-13(14)17(23)21-11-1-3-12(4-2-11)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2,(H,21,23)
InChIKeyFKBKVFCWGGLSCL-UHFFFAOYSA-N
MW352.77 g/mol
LogP3.71
Rot. Bonds3

About 2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide

2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 1328214) has the molecular formula C17H15ClF2N2O2 and a molecular weight of 352.77 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID1328214
Molecular FormulaC17H15ClF2N2O2
Molecular Weight352.77 g/mol
Exact Mass352.08
IUPAC Name2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C17H15ClF2N2O2/c18-14-10-16(20)15(19)9-13(14)17(23)21-11-1-3-12(4-2-11)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2,(H,21,23)
InChIKeyFKBKVFCWGGLSCL-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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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
1-(4-Chlorophenyl)-3-(4-(morpholine-4-carbonyl)phenyl)urea
CID 1845020
2-(2-chlorophenyl)-N-(3-methylphenyl)-2-morpholin-4-ylacetamide
CID 3108210
N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-4-fluorobenzamide
CID 42266988
4-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 471639
2,5-dichloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 979196
5-bromo-2-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 979198
3-(4-chlorophenyl)-N-[4-(4-morpholinyl)phenyl]acrylamide
CID 2263829
2-chloro-4,5-difluoro-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2974799
2-chloro-N-[4-(piperidin-1-ylcarbonyl)phenyl]benzamide
CID 887708
N-(4-benzamidophenyl)-2-chlorobenzamide
CID 3537781

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide (CID 1328214) is 2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is FKBKVFCWGGLSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O2/c18-14-10-16(20)15(19)9-13(14)17(23)21-11-1-3-12(4-2-11)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2,(H,21,23).
What are the key properties of 2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide?
2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 352.77 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 1328214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).