4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide

C34H32Cl2F2N4O4 — CID 159688298

IUPAC4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)cc1F.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/2C17H16ClFN2O2/c2*18-12-3-6-14(15(19)9-12)17(22)21-13-4-1-11(2-5-13)16-10-20-7-8-23-16/h2*1-6,9,16,20H,7-8,10H2,(H,21,22)/t2*16-/m10/s1
InChIKeyMWBUZOJYZSRXCL-RRHAQCGESA-N
MW669.56 g/mol
LogP6.78
Rot. Bonds6

About 4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide

4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide (PubChem CID 159688298) has the molecular formula C34H32Cl2F2N4O4 and a molecular weight of 669.56 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
PubChem CID159688298
Molecular FormulaC34H32Cl2F2N4O4
Molecular Weight669.56 g/mol
Exact Mass668.18
IUPAC Name4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)cc1F.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/2C17H16ClFN2O2/c2*18-12-3-6-14(15(19)9-12)17(22)21-13-4-1-11(2-5-13)16-10-20-7-8-23-16/h2*1-6,9,16,20H,7-8,10H2,(H,21,22)/t2*16-/m10/s1
InChIKeyMWBUZOJYZSRXCL-RRHAQCGESA-N
XLogP6.78
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.56
LogP ≤ 56.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022
1-(4-chloro-2-fluorophenyl)-2-(4-morpholin-2-ylphenyl)ethanone
CID 58315805
2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 129387150
3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 71087529
3-(4-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087692
4-chloro-2-fluoro-N-(4-fluorophenyl)benzamide
CID 26687726
methyl 2-chloro-4-[4-[[4-[(2R)-morpholin-2-yl]phenyl]carbamoyl]phenoxy]benzoate
CID 175718206
3-(3-cyano-4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-2,3-dihydro-1H-pyrazole-5-carboxamide
CID 148701324
4-formyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 86673956
8-fluoro-2-methyl-N-(4-morpholin-2-ylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 167847716
5-amino-1-(4-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pyrazole-4-carboxamide;dihydrochloride
CID 90047544
1-(4-fluorophenyl)-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide;hydrochloride
CID 71087883

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide (CID 159688298) is 4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide is O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(Cl)cc1F.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide?
The InChIKey is MWBUZOJYZSRXCL-RRHAQCGESA-N. The full InChI is InChI=1S/2C17H16ClFN2O2/c2*18-12-3-6-14(15(19)9-12)17(22)21-13-4-1-11(2-5-13)16-10-20-7-8-23-16/h2*1-6,9,16,20H,7-8,10H2,(H,21,22)/t2*16-/m10/s1.
What are the key properties of 4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide?
4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide has a molecular weight of 669.56 g/mol, XLogP of 6.78, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide is sourced from PubChem (CID 159688298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).