5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide

C16H22BrNO — CID 65309509

IUPAC5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C16H22BrNO/c1-12-8-9-14(17)10-15(12)16(19)18(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3
InChIKeyDWCUFZPHTMDIMR-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.41
Rot. Bonds3

About 5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide

5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide (PubChem CID 65309509) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
PubChem CID65309509
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)CC1CCCCC1
InChIInChI=1S/C16H22BrNO/c1-12-8-9-14(17)10-15(12)16(19)18(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3
InChIKeyDWCUFZPHTMDIMR-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156
5-bromo-N-cyclopentyl-N-ethyl-2-methylbenzamide
CID 65306938
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79964366
5-bromo-2-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107729991
1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
CID 82967364
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 61292517

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide?
The IUPAC name of 5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide (CID 65309509) is 5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide?
The canonical SMILES for 5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide is Cc1ccc(Br)cc1C(=O)N(C)CC1CCCCC1.
What is the InChIKey of 5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide?
The InChIKey is DWCUFZPHTMDIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-12-8-9-14(17)10-15(12)16(19)18(2)11-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3.
What are the key properties of 5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide?
5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide has a molecular weight of 324.26 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohexylmethyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 65309509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).