4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

C14H22BrN3O2 — CID 2446

💊View drug profile → bromopride
IUPAC4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC
InChIInChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyGIYAQDDTCWHPPL-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.11
Rot. Bonds7

About 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide

4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide (PubChem CID 2446) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
PubChem CID2446
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC
InChIInChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyGIYAQDDTCWHPPL-UHFFFAOYSA-N
XLogP2.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

AS-8112
CID 10993014
4-Amino-N-[2-(diethylamino)ethyl]-5-iodo-2-methoxybenzamide
CID 10548471
4-[3-(4-Bromo-phenyl)-ureido]-N-(2-diethylamino-ethyl)-2-methoxy-benzamide
CID 44394986
Methyl 4-amino-5-bromo-2-methoxybenzoate
CID 2768028
5-bromo-2-ethoxy-N-{4-[(isobutylamino)carbonyl]phenyl}benzamide
CID 1026561
5-bromo-2-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 1297608
5-bromo-N-{4-[(isobutylamino)carbonyl]phenyl}-2-methoxybenzamide
CID 1300555
4-Amino-5-bromo-N-(2-diethylamino-ethyl)-3-iodo-2-methoxy-benzamide
CID 10457407
5-bromo-2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 11742742
Benzamide, 4-amino-5-bromo-2-methoxy-N-(1-(phenylmethyl)-4-piperidinyl)-, monohydrochloride
CID 3044765
Benzamide, 5-bromo-N-(2-(diethylamino)ethyl)-4-((4,5-dihydro-1H-imidazol-2-yl)amino)-2-methoxy-
CID 3066737
Benzamide, 5-bromo-4-((4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-
CID 3066738

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide (CID 2446) is 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide is CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC.
What is the InChIKey of 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide?
The InChIKey is GIYAQDDTCWHPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide?
4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide has a molecular weight of 344.25 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 2446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).