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

C19H21ClN2O2 — CID 2990376

IUPACN-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Cl)cc1N1CCOCC1
InChIInChI=1S/C19H21ClN2O2/c20-16-7-8-17(18(14-16)22-10-12-24-13-11-22)21-19(23)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,6,9-13H2,(H,21,23)
InChIKeyOCNHVJZDADGIOD-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.75
Rot. Bonds5

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

N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide (PubChem CID 2990376) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide
PubChem CID2990376
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Cl)cc1N1CCOCC1
InChIInChI=1S/C19H21ClN2O2/c20-16-7-8-17(18(14-16)22-10-12-24-13-11-22)21-19(23)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,6,9-13H2,(H,21,23)
InChIKeyOCNHVJZDADGIOD-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide (CID 2990376) is N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(Cl)cc1N1CCOCC1.
What is the InChIKey of N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide?
The InChIKey is OCNHVJZDADGIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-16-7-8-17(18(14-16)22-10-12-24-13-11-22)21-19(23)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,6,9-13H2,(H,21,23).
What are the key properties of N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide?
N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide has a molecular weight of 344.84 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2990376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).