(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone

C17H13Cl3FNO2 — CID 155946524

IUPAC(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C17H13Cl3FNO2/c18-11-3-1-10(2-4-11)17(23)22-5-6-24-16(9-22)12-7-15(21)14(20)8-13(12)19/h1-4,7-8,16H,5-6,9H2
InChIKeySDTCVUWYPRKJRZ-UHFFFAOYSA-N
MW388.65 g/mol
LogP5.00
Rot. Bonds2

About (4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone

(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 155946524) has the molecular formula C17H13Cl3FNO2 and a molecular weight of 388.65 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone
PubChem CID155946524
Molecular FormulaC17H13Cl3FNO2
Molecular Weight388.65 g/mol
Exact Mass387.00
IUPAC Name(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C17H13Cl3FNO2/c18-11-3-1-10(2-4-11)17(23)22-5-6-24-16(9-22)12-7-15(21)14(20)8-13(12)19/h1-4,7-8,16H,5-6,9H2
InChIKeySDTCVUWYPRKJRZ-UHFFFAOYSA-N
XLogP5.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.65
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 119777407
2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone
CID 119777400
3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119777421
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120931507
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone
CID 120792454
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120989276
[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 124700398
[4-(aminomethyl)phenyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 119315888
N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
CID 166411739
4-(3-chloro-4-fluorobenzoyl)morpholine-2-carbonitrile
CID 81435497
6-[(2S)-4-(4-chlorobenzoyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847945

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone (CID 155946524) is (4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1.
What is the InChIKey of (4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is SDTCVUWYPRKJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3FNO2/c18-11-3-1-10(2-4-11)17(23)22-5-6-24-16(9-22)12-7-15(21)14(20)8-13(12)19/h1-4,7-8,16H,5-6,9H2.
What are the key properties of (4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone?
(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 388.65 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 155946524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).