(2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone

C19H19ClFNO2 — CID 704470

IUPAC(2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(F)c(N3CCOCC3)cc2Cl)cc1C
InChIInChI=1S/C19H19ClFNO2/c1-12-3-4-14(9-13(12)2)19(23)15-10-17(21)18(11-16(15)20)22-5-7-24-8-6-22/h3-4,9-11H,5-8H2,1-2H3
InChIKeyBDXUIWKSRMWOJN-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.16
Rot. Bonds3

About (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone

(2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone (PubChem CID 704470) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone
PubChem CID704470
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Name(2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2cc(F)c(N3CCOCC3)cc2Cl)cc1C
InChIInChI=1S/C19H19ClFNO2/c1-12-3-4-14(9-13(12)2)19(23)15-10-17(21)18(11-16(15)20)22-5-7-24-8-6-22/h3-4,9-11H,5-8H2,1-2H3
InChIKeyBDXUIWKSRMWOJN-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-4-morpholin-4-ylbenzoate
CID 3497323
(5-chloro-2-fluorophenyl)-(3,4-dimethylphenyl)methanone
CID 43339976
(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone
CID 822330
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
lithium;3-methyl-4-morpholin-4-ylbenzoic acid;hydroxide
CID 159941307
(3,4-dimethylphenyl)-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110365079
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 21367728
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
(2,3-difluoro-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 107515111
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
CID 126130017

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone?
The IUPAC name of (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone (CID 704470) is (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone?
The canonical SMILES for (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone is Cc1ccc(C(=O)c2cc(F)c(N3CCOCC3)cc2Cl)cc1C.
What is the InChIKey of (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone?
The InChIKey is BDXUIWKSRMWOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c1-12-3-4-14(9-13(12)2)19(23)15-10-17(21)18(11-16(15)20)22-5-7-24-8-6-22/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone?
(2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone has a molecular weight of 347.82 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluoro-4-morpholin-4-ylphenyl)-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 704470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).