N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide

C16H16BrNO — CID 61400488

IUPACN-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO/c1-11-7-12(2)9-14(8-11)16(19)18-10-13-3-5-15(17)6-4-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyBTTVFIGLIZOVIP-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.00
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide

N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide (PubChem CID 61400488) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
PubChem CID61400488
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCc2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO/c1-11-7-12(2)9-14(8-11)16(19)18-10-13-3-5-15(17)6-4-13/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyBTTVFIGLIZOVIP-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide
CID 106899931
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-[[4-(2-aminoethyl)phenyl]methyl]-3-bromo-5-methylbenzamide
CID 115999593
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
3-amino-5-bromo-N-[(4-ethylphenyl)methyl]benzamide
CID 106899126
4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide
CID 107233417
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536
3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 143752516
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
N-[(4-aminophenyl)methyl]-3-methylbenzamide
CID 60891807
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide (CID 61400488) is N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCc2ccc(Br)cc2)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide?
The InChIKey is BTTVFIGLIZOVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-11-7-12(2)9-14(8-11)16(19)18-10-13-3-5-15(17)6-4-13/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide?
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide has a molecular weight of 318.21 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 61400488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).