4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide

C16H17BrN2O — CID 43230444

IUPAC4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O/c1-19(2)16(20)13-6-8-15(9-7-13)18-11-12-4-3-5-14(17)10-12/h3-10,18H,11H2,1-2H3
InChIKeyWLRMEDXDUXEYMJ-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.76
Rot. Bonds4

About 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide

4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide (PubChem CID 43230444) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide
PubChem CID43230444
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCc2cccc(Br)c2)cc1
InChIInChI=1S/C16H17BrN2O/c1-19(2)16(20)13-6-8-15(9-7-13)18-11-12-4-3-5-14(17)10-12/h3-10,18H,11H2,1-2H3
InChIKeyWLRMEDXDUXEYMJ-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742098
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4-[(3-bromophenyl)methylamino]benzenecarbothioamide
CID 61410606
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43234682
N-[(3-bromophenyl)methyl]aniline;hydrochloride
CID 69090735
N-[(3-bromophenyl)methyl]-4-propan-2-ylaniline
CID 29276780
N,N-dimethyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43681971
N,N-diethyl-4-[(3-hydroxyphenyl)methylamino]benzamide
CID 99843072
4-[(5-bromofuran-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43681973
methyl 2-[4-[(3-bromophenyl)methylamino]phenyl]sulfonylacetate
CID 118910720
1-[4-[4-[(3-bromophenyl)methylamino]phenyl]piperazin-1-yl]ethanone
CID 4736689
3-[(3-bromophenyl)methyl]-1-ethyl-1-methylurea
CID 78917448

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide (CID 43230444) is 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NCc2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is WLRMEDXDUXEYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-19(2)16(20)13-6-8-15(9-7-13)18-11-12-4-3-5-14(17)10-12/h3-10,18H,11H2,1-2H3.
What are the key properties of 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide?
4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 333.23 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 43230444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).