4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide

C13H16BrNO — CID 115770194

IUPAC4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)CC2CC2)ccc1Br
InChIInChI=1S/C13H16BrNO/c1-9-7-11(5-6-12(9)14)13(16)15(2)8-10-3-4-10/h5-7,10H,3-4,8H2,1-2H3
InChIKeyOJSWKQZJCIMUSV-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.24
Rot. Bonds3

About 4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide

4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide (PubChem CID 115770194) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide
PubChem CID115770194
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)CC2CC2)ccc1Br
InChIInChI=1S/C13H16BrNO/c1-9-7-11(5-6-12(9)14)13(16)15(2)8-10-3-4-10/h5-7,10H,3-4,8H2,1-2H3
InChIKeyOJSWKQZJCIMUSV-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-bromo-N-(cyclopentylmethyl)-N-methyl-3-nitrobenzamide
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N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627771
N-(cyclobutylmethyl)-N,4-dimethyl-3-sulfamoylbenzamide
CID 65387895
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602
4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 115769521
2-[(4-bromo-3-methylbenzoyl)-cyclopropylamino]acetic acid
CID 113396633
4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
CID 107205681
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125
2,4-dibromo-N-(cyclopropylmethyl)-N-methylbenzamide
CID 103882559
4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113339013

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide?
The IUPAC name of 4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide (CID 115770194) is 4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide.
What is the SMILES notation for 4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide?
The canonical SMILES for 4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide is Cc1cc(C(=O)N(C)CC2CC2)ccc1Br.
What is the InChIKey of 4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide?
The InChIKey is OJSWKQZJCIMUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-9-7-11(5-6-12(9)14)13(16)15(2)8-10-3-4-10/h5-7,10H,3-4,8H2,1-2H3.
What are the key properties of 4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide?
4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide has a molecular weight of 282.18 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide is sourced from PubChem (CID 115770194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).