3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide

C19H21BrN2O2 — CID 109056207

IUPAC3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H21BrN2O2/c1-13(2)10-11-21-18(23)14-4-3-5-15(12-14)19(24)22-17-8-6-16(20)7-9-17/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVHBRSSXLXIVIHK-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.48
Rot. Bonds6

About 3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide

3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide (PubChem CID 109056207) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
PubChem CID109056207
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H21BrN2O2/c1-13(2)10-11-21-18(23)14-4-3-5-15(12-14)19(24)22-17-8-6-16(20)7-9-17/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyVHBRSSXLXIVIHK-UHFFFAOYSA-N
XLogP4.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3,5-dimethylphenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056183
ethyl 4-[[3-(3-methylbutylcarbamoyl)benzoyl]amino]benzoate
CID 109056240
1-N-(3-methylbutyl)-3-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056231
3-N-(2,6-difluorophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056257
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
3-bromo-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 51162907
N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide
CID 108951809
3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107140
3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055819
3-chloro-N-[4-(3-methylbutylamino)phenyl]benzamide
CID 112985106
1-N-butyl-3-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109051156
3-N-(3-methylbutyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107173

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide (CID 109056207) is 3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide is CC(C)CCNC(=O)c1cccc(C(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
The InChIKey is VHBRSSXLXIVIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13(2)10-11-21-18(23)14-4-3-5-15(12-14)19(24)22-17-8-6-16(20)7-9-17/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide?
3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide has a molecular weight of 389.29 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).