4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide

C19H21BrN2O2 — CID 109043990

IUPAC4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(C(=O)NCC(C)C)cc1
InChIInChI=1S/C19H21BrN2O2/c1-12(2)11-21-18(23)14-4-6-15(7-5-14)19(24)22-17-9-8-16(20)10-13(17)3/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySRGDCTGMOGTGRG-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.40
Rot. Bonds5

About 4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide

4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide (PubChem CID 109043990) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
PubChem CID109043990
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccc(C(=O)NCC(C)C)cc1
InChIInChI=1S/C19H21BrN2O2/c1-12(2)11-21-18(23)14-4-6-15(7-5-14)19(24)22-17-9-8-16(20)10-13(17)3/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeySRGDCTGMOGTGRG-UHFFFAOYSA-N
XLogP4.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2-methylpropyl)acetamide
CID 9303536
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
ethyl N-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]carbamate
CID 9159193
N-(4-bromo-2-methylphenyl)-4-(2,2-dimethylpropanoylamino)benzamide
CID 1370379
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161206
N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide
CID 71758813

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide (CID 109043990) is 4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide is Cc1cc(Br)ccc1NC(=O)c1ccc(C(=O)NCC(C)C)cc1.
What is the InChIKey of 4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
The InChIKey is SRGDCTGMOGTGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-12(2)11-21-18(23)14-4-6-15(7-5-14)19(24)22-17-9-8-16(20)10-13(17)3/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide?
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide has a molecular weight of 389.29 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).