(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone

C17H16ClNO2 — CID 110675198

IUPAC(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)c(-c2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C17H16ClNO2/c18-16-7-6-14(17(20)19-8-10-21-11-9-19)12-15(16)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyLHLYGZNFMOCZFT-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.48
Rot. Bonds2

About (4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone

(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone (PubChem CID 110675198) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
PubChem CID110675198
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)c(-c2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C17H16ClNO2/c18-16-7-6-14(17(20)19-8-10-21-11-9-19)12-15(16)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyLHLYGZNFMOCZFT-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-3-(6-hydroxynaphthalen-2-yl)phenyl]-morpholin-4-ylmethanone
CID 67203926
4-chloro-3-[4-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39234276
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
(4-chloro-3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 26583462
[4-(2,5-diphenylpyrrol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 4519819
[4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone
CID 167445629
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 49014229
2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
CID 123499675
[1-[5-(2-chlorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-morpholin-4-ylmethanone
CID 118659916
morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone (CID 110675198) is (4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone is O=C(c1ccc(Cl)c(-c2ccccc2)c1)N1CCOCC1.
What is the InChIKey of (4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone?
The InChIKey is LHLYGZNFMOCZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-16-7-6-14(17(20)19-8-10-21-11-9-19)12-15(16)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of (4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone?
(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone has a molecular weight of 301.77 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 110675198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).