(5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one

C20H19Cl2NO2 — CID 71663526

IUPAC(5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one
SMILESO=C1CO[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1CC1CC1
InChIInChI=1S/C20H19Cl2NO2/c21-16-8-6-14(7-9-16)19-20(15-2-1-3-17(22)10-15)25-12-18(24)23(19)11-13-4-5-13/h1-3,6-10,13,19-20H,4-5,11-12H2/t19-,20+/m1/s1
InChIKeyUSNQYGDSTBFBSK-UXHICEINSA-N
MW376.28 g/mol
LogP5.04
Rot. Bonds4

About (5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one

(5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one (PubChem CID 71663526) has the molecular formula C20H19Cl2NO2 and a molecular weight of 376.28 g/mol. Its IUPAC name is (5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one
PubChem CID71663526
Molecular FormulaC20H19Cl2NO2
Molecular Weight376.28 g/mol
Exact Mass375.08
IUPAC Name(5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one
SMILESO=C1CO[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1CC1CC1
InChIInChI=1S/C20H19Cl2NO2/c21-16-8-6-14(7-9-16)19-20(15-2-1-3-17(22)10-15)25-12-18(24)23(19)11-13-4-5-13/h1-3,6-10,13,19-20H,4-5,11-12H2/t19-,20+/m1/s1
InChIKeyUSNQYGDSTBFBSK-UXHICEINSA-N
XLogP5.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.28
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one?
The IUPAC name of (5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one (CID 71663526) is (5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one.
What is the SMILES notation for (5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one?
The canonical SMILES for (5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one is O=C1CO[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1CC1CC1.
What is the InChIKey of (5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one?
The InChIKey is USNQYGDSTBFBSK-UXHICEINSA-N. The full InChI is InChI=1S/C20H19Cl2NO2/c21-16-8-6-14(7-9-16)19-20(15-2-1-3-17(22)10-15)25-12-18(24)23(19)11-13-4-5-13/h1-3,6-10,13,19-20H,4-5,11-12H2/t19-,20+/m1/s1.
What are the key properties of (5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one?
(5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one has a molecular weight of 376.28 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(cyclopropylmethyl)morpholin-3-one is sourced from PubChem (CID 71663526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).