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

C19H21ClN2O2 — CID 975609

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c20-17-14-16(7-8-18(17)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)
InChIKeyQTZDDMQEGWJHAG-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.75
Rot. Bonds5

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

N-(3-chloro-4-morpholin-4-ylphenyl)-3-phenylpropanamide (PubChem CID 975609) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-3-phenylpropanamide
PubChem CID975609
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O2/c20-17-14-16(7-8-18(17)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)
InChIKeyQTZDDMQEGWJHAG-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-3-phenylpropanamide (CID 975609) is N-(3-chloro-4-morpholin-4-ylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-3-phenylpropanamide?
The InChIKey is QTZDDMQEGWJHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-17-14-16(7-8-18(17)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-(3-chloro-4-morpholin-4-ylphenyl)-3-phenylpropanamide?
N-(3-chloro-4-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-(3-chloro-4-morpholin-4-ylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 975609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).