(3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone

C17H16ClNO2 — CID 16894702

IUPAC(3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H16ClNO2/c18-15-8-4-7-14(11-15)17(20)19-9-10-21-16(12-19)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2
InChIKeyKAJPJTZWAPGOFN-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.55
Rot. Bonds2

About (3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone

(3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone (PubChem CID 16894702) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone
PubChem CID16894702
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C17H16ClNO2/c18-15-8-4-7-14(11-15)17(20)19-9-10-21-16(12-19)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2
InChIKeyKAJPJTZWAPGOFN-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone (CID 16894702) is (3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone is O=C(c1cccc(Cl)c1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of (3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is KAJPJTZWAPGOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-15-8-4-7-14(11-15)17(20)19-9-10-21-16(12-19)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2.
What are the key properties of (3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone?
(3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 301.77 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 16894702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).