3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide

C20H23BrN2O4 — CID 2464308

IUPAC3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc(Br)c1OC
InChIInChI=1S/C20H23BrN2O4/c1-3-27-18-13-14(12-17(21)19(18)25-2)20(24)22-15-4-6-16(7-5-15)23-8-10-26-11-9-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,24)
InChIKeyNFAKONTXGKGGFN-UHFFFAOYSA-N
MW435.32 g/mol
LogP3.95
Rot. Bonds6

About 3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide

3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 2464308) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID2464308
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC Name3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc(Br)c1OC
InChIInChI=1S/C20H23BrN2O4/c1-3-27-18-13-14(12-17(21)19(18)25-2)20(24)22-15-4-6-16(7-5-15)23-8-10-26-11-9-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,24)
InChIKeyNFAKONTXGKGGFN-UHFFFAOYSA-N
XLogP3.95
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-methoxy-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 979232
3-bromo-4-methoxy-N-[4-(1-pyrrolidinyl)phenyl]benzamide
CID 1334525
N-(2-ethoxyphenyl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4791241
3,4-dimethoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 1086052
3,4-Dimethoxy-N-[4-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 1134573
2-[2-bromo-4-({[4-(dimethylamino)phenyl]amino}methyl)-6-ethoxyphenoxy]-N-(tert-butyl)acetamide
CID 1017323
3-bromo-4-ethoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 1017508
Benzamide,n-(2-bromophenyl)-3-(cyclopentyloxy)-4-methoxy-
CID 9977675
5-bromo-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-4-ylbenzamide
CID 141753593
3,4-dimethoxy-N-[2-({[2-(4-morpholinyl)ethyl]amino}carbonyl)phenyl]benzamide
CID 16422036
3-bromo-4-methoxy-N-(2-morpholin-4-ylphenyl)benzamide
CID 661633
2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid (4-piperidin-1-yl-phenyl)-amide
CID 774966

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide (CID 2464308) is 3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide is CCOc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc(Br)c1OC.
What is the InChIKey of 3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is NFAKONTXGKGGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-3-27-18-13-14(12-17(21)19(18)25-2)20(24)22-15-4-6-16(7-5-15)23-8-10-26-11-9-23/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,24).
What are the key properties of 3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide?
3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 435.32 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 2464308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).