N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide

C17H16ClFN2O2 — CID 952438

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccccc1F
InChIInChI=1S/C17H16ClFN2O2/c18-13-5-3-7-15(16(13)21-8-10-23-11-9-21)20-17(22)12-4-1-2-6-14(12)19/h1-7H,8-11H2,(H,20,22)
InChIKeyJKLVKLWRWFVHCN-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.57
Rot. Bonds3

About N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide

N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide (PubChem CID 952438) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
PubChem CID952438
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccccc1F
InChIInChI=1S/C17H16ClFN2O2/c18-13-5-3-7-15(16(13)21-8-10-23-11-9-21)20-17(22)12-4-1-2-6-14(12)19/h1-7H,8-11H2,(H,20,22)
InChIKeyJKLVKLWRWFVHCN-UHFFFAOYSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 1254482
N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 131960632
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 1017993
2-fluoro-N-(2-morpholin-4-ylsulfonylphenyl)benzamide
CID 90451563
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
N-(3-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111432211
2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400396
3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 4029398
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
3-[(2-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052916

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide (CID 952438) is N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide is O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccccc1F.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide?
The InChIKey is JKLVKLWRWFVHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-13-5-3-7-15(16(13)21-8-10-23-11-9-21)20-17(22)12-4-1-2-6-14(12)19/h1-7H,8-11H2,(H,20,22).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide has a molecular weight of 334.78 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 952438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).