1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide

C19H21BrN2O2 — CID 109056065

IUPAC1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
SMILESCc1cc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)ccc1Br
InChIInChI=1S/C19H21BrN2O2/c1-12-10-15(8-9-16(12)20)21-17(23)13-6-5-7-14(11-13)18(24)22-19(2,3)4/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChIKeyBDXBATPCRNXJEH-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.54
Rot. Bonds3

About 1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide

1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide (PubChem CID 109056065) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
PubChem CID109056065
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
SMILESCc1cc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)ccc1Br
InChIInChI=1S/C19H21BrN2O2/c1-12-10-15(8-9-16(12)20)21-17(23)13-6-5-7-14(11-13)18(24)22-19(2,3)4/h5-11H,1-4H3,(H,21,23)(H,22,24)
InChIKeyBDXBATPCRNXJEH-UHFFFAOYSA-N
XLogP4.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109055998
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055991
3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050442
1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056044
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109056003
N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28639414
N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667538
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239465

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide (CID 109056065) is 1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide is Cc1cc(NC(=O)c2cccc(C(=O)NC(C)(C)C)c2)ccc1Br.
What is the InChIKey of 1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide?
The InChIKey is BDXBATPCRNXJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-12-10-15(8-9-16(12)20)21-17(23)13-6-5-7-14(11-13)18(24)22-19(2,3)4/h5-11H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide?
1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide has a molecular weight of 389.29 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109056065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).