4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide

C20H25BrN2O — CID 55826122

IUPAC4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C20H25BrN2O/c1-4-23(5-2)14-17-8-6-16(7-9-17)13-22-20(24)19-11-10-18(21)12-15(19)3/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKeyDHRXIGCNKODFCI-UHFFFAOYSA-N
MW389.34 g/mol
LogP4.53
Rot. Bonds7

About 4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide

4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide (PubChem CID 55826122) has the molecular formula C20H25BrN2O and a molecular weight of 389.34 g/mol. Its IUPAC name is 4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide
PubChem CID55826122
Molecular FormulaC20H25BrN2O
Molecular Weight389.34 g/mol
Exact Mass388.12
IUPAC Name4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C20H25BrN2O/c1-4-23(5-2)14-17-8-6-16(7-9-17)13-22-20(24)19-11-10-18(21)12-15(19)3/h6-12H,4-5,13-14H2,1-3H3,(H,22,24)
InChIKeyDHRXIGCNKODFCI-UHFFFAOYSA-N
XLogP4.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 107233720
4-bromo-N-[(4-carbamothioylphenyl)methyl]-2-methylbenzamide
CID 62310631
4-bromo-N-[[4-(butanoylamino)phenyl]methyl]-2-methylbenzamide
CID 55849221
4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55851395
N-[[4-(bromomethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233714
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide
CID 107231263
N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide
CID 43069979
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 47291588
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide?
The IUPAC name of 4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide (CID 55826122) is 4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide is CCN(CC)Cc1ccc(CNC(=O)c2ccc(Br)cc2C)cc1.
What is the InChIKey of 4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide?
The InChIKey is DHRXIGCNKODFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O/c1-4-23(5-2)14-17-8-6-16(7-9-17)13-22-20(24)19-11-10-18(21)12-15(19)3/h6-12H,4-5,13-14H2,1-3H3,(H,22,24).
What are the key properties of 4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide?
4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide has a molecular weight of 389.34 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 55826122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).