3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide

C14H19BrN2O2 — CID 113460816

IUPAC3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H19BrN2O2/c1-9-5-10(7-11(15)6-9)13(19)16-8-12(18)17-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyJINJFQJHTPGPDH-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.40
Rot. Bonds3

About 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide

3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide (PubChem CID 113460816) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide
PubChem CID113460816
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H19BrN2O2/c1-9-5-10(7-11(15)6-9)13(19)16-8-12(18)17-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyJINJFQJHTPGPDH-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 103907463
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460827
3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460828
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
3-bromo-5-methyl-N-(2,3,3-trimethylbutyl)benzamide
CID 104852960
3,5-dibromo-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103907474
2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 103752009
3-bromo-N-butyl-5-methylbenzamide
CID 104851755
3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608
methyl 2-[(3-bromo-5-methylbenzoyl)amino]-2-methylpropanoate
CID 104852229

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide (CID 113460816) is 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide is Cc1cc(Br)cc(C(=O)NCC(=O)NC(C)(C)C)c1.
What is the InChIKey of 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide?
The InChIKey is JINJFQJHTPGPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9-5-10(7-11(15)6-9)13(19)16-8-12(18)17-14(2,3)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide?
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide has a molecular weight of 327.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide is sourced from PubChem (CID 113460816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).