[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone

C17H15BrClNO2 — CID 47913302

IUPAC[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H15BrClNO2/c18-14-6-4-12(5-7-14)16-11-20(8-9-22-16)17(21)13-2-1-3-15(19)10-13/h1-7,10,16H,8-9,11H2
InChIKeyRVQKLEPZCGKZRY-UHFFFAOYSA-N
MW380.67 g/mol
LogP4.32
Rot. Bonds2

About [2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone

[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone (PubChem CID 47913302) has the molecular formula C17H15BrClNO2 and a molecular weight of 380.67 g/mol. Its IUPAC name is [2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
PubChem CID47913302
Molecular FormulaC17H15BrClNO2
Molecular Weight380.67 g/mol
Exact Mass379.00
IUPAC Name[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H15BrClNO2/c18-14-6-4-12(5-7-14)16-11-20(8-9-22-16)17(21)13-2-1-3-15(19)10-13/h1-7,10,16H,8-9,11H2
InChIKeyRVQKLEPZCGKZRY-UHFFFAOYSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone with MolForge

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Related Compounds

1,3-benzodioxol-5-yl-[2-(4-bromophenyl)morpholin-4-yl]methanone
CID 47913286
1-[3-[(2R)-2-(4-bromophenyl)morpholine-4-carbonyl]phenyl]imidazolidin-2-one
CID 97077495
[(2R)-2-(4-bromophenyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 95215393
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
[2-(4-bromophenyl)morpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 60587125
[2-(3-chlorophenyl)morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 122138903
[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone
CID 110364434
[2-(4-bromophenyl)morpholin-4-yl]-(2,5-difluorophenyl)methanone
CID 47913144
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 55982427
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657
N-[3-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenyl]oxolane-2-carboxamide
CID 55948150

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone (CID 47913302) is [2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone is O=C(c1cccc(Cl)c1)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of [2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone?
The InChIKey is RVQKLEPZCGKZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO2/c18-14-6-4-12(5-7-14)16-11-20(8-9-22-16)17(21)13-2-1-3-15(19)10-13/h1-7,10,16H,8-9,11H2.
What are the key properties of [2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone?
[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone has a molecular weight of 380.67 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 47913302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).