4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide

C18H17ClN2O3 — CID 727271

IUPAC4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c19-14-7-5-13(6-8-14)17(22)20-16-4-2-1-3-15(16)18(23)21-9-11-24-12-10-21/h1-8H,9-12H2,(H,20,22)
InChIKeyQZONUDHFBFFDNZ-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.06
Rot. Bonds3

About 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide

4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 727271) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID727271
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O3/c19-14-7-5-13(6-8-14)17(22)20-16-4-2-1-3-15(16)18(23)21-9-11-24-12-10-21/h1-8H,9-12H2,(H,20,22)
InChIKeyQZONUDHFBFFDNZ-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3407
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
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CID 3015003
2-Amino-N-[3-(morpholin-4-yl)propyl]benzamide
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1-(4-Chlorophenyl)-3-(4-(morpholine-4-carbonyl)phenyl)urea
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2-(Morpholine-4-carbonyl)aniline
CID 726276
Pnu-183792
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4-chloro-N-{[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl}benzamide
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1,4-Benzodiazepine-2,5-dione scaffold, 22
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CID 16086891

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide (CID 727271) is 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is QZONUDHFBFFDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-14-7-5-13(6-8-14)17(22)20-16-4-2-1-3-15(16)18(23)21-9-11-24-12-10-21/h1-8H,9-12H2,(H,20,22).
What are the key properties of 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide?
4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 344.80 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 727271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).