N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

C17H16BrNO2 — CID 86963089

IUPACN-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1cc(N(C)C(=O)c2ccc3c(c2)CCO3)ccc1Br
InChIInChI=1S/C17H16BrNO2/c1-11-9-14(4-5-15(11)18)19(2)17(20)13-3-6-16-12(10-13)7-8-21-16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyFZIWVTHVMBBMOZ-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.97
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 86963089) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID86963089
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1cc(N(C)C(=O)c2ccc3c(c2)CCO3)ccc1Br
InChIInChI=1S/C17H16BrNO2/c1-11-9-14(4-5-15(11)18)19(2)17(20)13-3-6-16-12(10-13)7-8-21-16/h3-6,9-10H,7-8H2,1-2H3
InChIKeyFZIWVTHVMBBMOZ-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide
CID 115160758
N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 115274571
4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide
CID 112705888
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63755933
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
CID 79466753
(3-bromofuran-2-yl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 114973436
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
N-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)phenyl]-N-methylformamide
CID 62199751

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 86963089) is N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is Cc1cc(N(C)C(=O)c2ccc3c(c2)CCO3)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is FZIWVTHVMBBMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-11-9-14(4-5-15(11)18)19(2)17(20)13-3-6-16-12(10-13)7-8-21-16/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 346.22 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 86963089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).