3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide

C18H19BrN2O2 — CID 109050442

IUPAC3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C18H19BrN2O2/c1-3-9-20-17(22)13-5-4-6-14(11-13)18(23)21-15-7-8-16(19)12(2)10-15/h4-8,10-11H,3,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCUDYEBBBCZBDCD-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.15
Rot. Bonds5

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

3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide (PubChem CID 109050442) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
PubChem CID109050442
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C18H19BrN2O2/c1-3-9-20-17(22)13-5-4-6-14(11-13)18(23)21-15-7-8-16(19)12(2)10-15/h4-8,10-11H,3,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCUDYEBBBCZBDCD-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
1-N-(4-bromo-3-methylphenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056065
3-N-(4-ethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050379
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
3-N-[4-(diethylamino)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050428
3-N-(3,4-dimethylphenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052570
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667538
3-N-(2,3-dimethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050377
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811111

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide (CID 109050442) is 3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide is CCCNC(=O)c1cccc(C(=O)Nc2ccc(Br)c(C)c2)c1.
What is the InChIKey of 3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide?
The InChIKey is CUDYEBBBCZBDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-3-9-20-17(22)13-5-4-6-14(11-13)18(23)21-15-7-8-16(19)12(2)10-15/h4-8,10-11H,3,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide?
3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide has a molecular weight of 375.27 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-bromo-3-methylphenyl)-1-N-propylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109050442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).