2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide

C17H19BrN2O2 — CID 27887990

IUPAC2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H19BrN2O2/c1-20(2)13-6-4-12(5-7-13)11-19-17(21)15-10-14(22-3)8-9-16(15)18/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyPLDUORRUKTZKAZ-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.45
Rot. Bonds5

About 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide

2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide (PubChem CID 27887990) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
PubChem CID27887990
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C17H19BrN2O2/c1-20(2)13-6-4-12(5-7-13)11-19-17(21)15-10-14(22-3)8-9-16(15)18/h4-10H,11H2,1-3H3,(H,19,21)
InChIKeyPLDUORRUKTZKAZ-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-4-methoxybenzamide
CID 82546293
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-methylbenzamide
CID 39952387
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406
2-bromo-N-[(4-methoxyphenyl)methyl]-5-sulfanylbenzamide
CID 107020380
2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
CID 47204815
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
2-bromo-5-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17473474
2-bromo-N-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]methyl]-5-methoxybenzamide
CID 122253015
N-[[4-(dimethylamino)phenyl]methyl]-6-methoxyquinoline-2-carboxamide
CID 33318425
N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide
CID 9305214
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide (CID 27887990) is 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide?
The InChIKey is PLDUORRUKTZKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-20(2)13-6-4-12(5-7-13)11-19-17(21)15-10-14(22-3)8-9-16(15)18/h4-10H,11H2,1-3H3,(H,19,21).
What are the key properties of 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide?
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide has a molecular weight of 363.26 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide is sourced from PubChem (CID 27887990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).