2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide

C19H21BrClNO4 — CID 78890426

IUPAC2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
SMILESCOCCOc1ccc(C(C)NC(=O)c2cc(Cl)ccc2Br)cc1OC
InChIInChI=1S/C19H21BrClNO4/c1-12(22-19(23)15-11-14(21)5-6-16(15)20)13-4-7-17(18(10-13)25-3)26-9-8-24-2/h4-7,10-12H,8-9H2,1-3H3,(H,22,23)
InChIKeyGCXWVWHFKMLCKZ-UHFFFAOYSA-N
MW442.74 g/mol
LogP4.63
Rot. Bonds8

About 2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide

2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide (PubChem CID 78890426) has the molecular formula C19H21BrClNO4 and a molecular weight of 442.74 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
PubChem CID78890426
Molecular FormulaC19H21BrClNO4
Molecular Weight442.74 g/mol
Exact Mass441.03
IUPAC Name2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
SMILESCOCCOc1ccc(C(C)NC(=O)c2cc(Cl)ccc2Br)cc1OC
InChIInChI=1S/C19H21BrClNO4/c1-12(22-19(23)15-11-14(21)5-6-16(15)20)13-4-7-17(18(10-13)25-3)26-9-8-24-2/h4-7,10-12H,8-9H2,1-3H3,(H,22,23)
InChIKeyGCXWVWHFKMLCKZ-UHFFFAOYSA-N
XLogP4.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.74
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 55748470
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55807881
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
4-bromo-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55748639
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]quinoline-4-carboxamide
CID 55797712
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
3-amino-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]butanamide
CID 119722964
2-bromo-N-[1-(3,4-diethoxyphenyl)ethyl]-5-fluorobenzamide
CID 43022804

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide (CID 78890426) is 2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide is COCCOc1ccc(C(C)NC(=O)c2cc(Cl)ccc2Br)cc1OC.
What is the InChIKey of 2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide?
The InChIKey is GCXWVWHFKMLCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClNO4/c1-12(22-19(23)15-11-14(21)5-6-16(15)20)13-4-7-17(18(10-13)25-3)26-9-8-24-2/h4-7,10-12H,8-9H2,1-3H3,(H,22,23).
What are the key properties of 2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide?
2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide has a molecular weight of 442.74 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 78890426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).