2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide

C19H17ClN2O2 — CID 87035094

IUPAC2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide
SMILESC#Cc1cccc(NC(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C19H17ClN2O2/c1-2-14-4-3-5-17(12-14)21-19(23)22-10-11-24-18(13-22)15-6-8-16(20)9-7-15/h1,3-9,12,18H,10-11,13H2,(H,21,23)
InChIKeyNHMGRUZGZNOSOD-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.93
Rot. Bonds2

About 2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide

2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide (PubChem CID 87035094) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide
PubChem CID87035094
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide
SMILESC#Cc1cccc(NC(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C19H17ClN2O2/c1-2-14-4-3-5-17(12-14)21-19(23)22-10-11-24-18(13-22)15-6-8-16(20)9-7-15/h1,3-9,12,18H,10-11,13H2,(H,21,23)
InChIKeyNHMGRUZGZNOSOD-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-(4-methoxyphenyl)morpholine-4-carboxamide
CID 110327203
2-(4-fluorophenyl)-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 84524231
N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide
CID 55948150
2-(4-chlorophenyl)-N-(2-ethyl-6-methylphenyl)morpholine-4-carboxamide
CID 87034912
(2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide
CID 32840083
2-anilino-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119725525
2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
CID 87036056
N-phenyl-4-(2-phenylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 128925946
N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 86987031
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(3-fluorophenyl)acetamide
CID 60504856
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-2-phenylmorpholine-4-carboxamide
CID 124614069
2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide (CID 87035094) is 2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide is C#Cc1cccc(NC(=O)N2CCOC(c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide?
The InChIKey is NHMGRUZGZNOSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-2-14-4-3-5-17(12-14)21-19(23)22-10-11-24-18(13-22)15-6-8-16(20)9-7-15/h1,3-9,12,18H,10-11,13H2,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide?
2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(3-ethynylphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 87035094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).