5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide

C16H15BrN2O2 — CID 166611442

IUPAC5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide
SMILESCOc1ccccc1NC(=O)N1Cc2ccc(Br)cc2C1
InChIInChI=1S/C16H15BrN2O2/c1-21-15-5-3-2-4-14(15)18-16(20)19-9-11-6-7-13(17)8-12(11)10-19/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyTXSKFJJJKNWTOD-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.01
Rot. Bonds2

About 5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide

5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 166611442) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID166611442
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide
SMILESCOc1ccccc1NC(=O)N1Cc2ccc(Br)cc2C1
InChIInChI=1S/C16H15BrN2O2/c1-21-15-5-3-2-4-14(15)18-16(20)19-9-11-6-7-13(17)8-12(11)10-19/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyTXSKFJJJKNWTOD-UHFFFAOYSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromophenyl)sulfonyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 27868289
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
2-(5-bromo-2-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 87030481
N-(2,4-dibromophenyl)-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 3746837
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123407
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
3-bromo-N-[(2-methoxyphenyl)carbamothioyl]benzamide
CID 1018499
1-(4-bromo-2-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 82695331
3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 71849001
2-(2-amino-4-bromophenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
CID 43306176

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide (CID 166611442) is 5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide is COc1ccccc1NC(=O)N1Cc2ccc(Br)cc2C1.
What is the InChIKey of 5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is TXSKFJJJKNWTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-21-15-5-3-2-4-14(15)18-16(20)19-9-11-6-7-13(17)8-12(11)10-19/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of 5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide?
5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 347.21 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyphenyl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 166611442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).