(1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide

C17H21ClN2O2 — CID 25347228

IUPAC(1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)[C@@H]1CC=CCC1
InChIInChI=1S/C17H21ClN2O2/c18-14-7-4-8-15(16(14)20-9-11-22-12-10-20)19-17(21)13-5-2-1-3-6-13/h1-2,4,7-8,13H,3,5-6,9-12H2,(H,19,21)/t13-/m1/s1
InChIKeyRKIARDHHKXVJKJ-CYBMUJFWSA-N
MW320.82 g/mol
LogP3.47
Rot. Bonds3

About (1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide

(1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 25347228) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is (1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID25347228
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name(1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)[C@@H]1CC=CCC1
InChIInChI=1S/C17H21ClN2O2/c18-14-7-4-8-15(16(14)20-9-11-22-12-10-20)19-17(21)13-5-2-1-3-6-13/h1-2,4,7-8,13H,3,5-6,9-12H2,(H,19,21)/t13-/m1/s1
InChIKeyRKIARDHHKXVJKJ-CYBMUJFWSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(3-chloro-2-morpholin-4-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 24614259
N-[2-(morpholin-4-ylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 131915701
N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 30461617
N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24603962
N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24603908
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
N-(3-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111432211
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 1017993
N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide
CID 119840536
(5R)-N-(3-chloro-2-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1,4-diazepane-1-carboxamide
CID 95784144

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide (CID 25347228) is (1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide is O=C(Nc1cccc(Cl)c1N1CCOCC1)[C@@H]1CC=CCC1.
What is the InChIKey of (1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is RKIARDHHKXVJKJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-14-7-4-8-15(16(14)20-9-11-22-12-10-20)19-17(21)13-5-2-1-3-6-13/h1-2,4,7-8,13H,3,5-6,9-12H2,(H,19,21)/t13-/m1/s1.
What are the key properties of (1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide?
(1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 320.82 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(3-chloro-2-morpholin-4-ylphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 25347228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).