N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide

C16H14Cl2N2O — CID 104727171

IUPACN-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2ccc3c(c2)CCN3)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-9-6-13(18)15(8-12(9)17)20-16(21)11-2-3-14-10(7-11)4-5-19-14/h2-3,6-8,19H,4-5H2,1H3,(H,20,21)
InChIKeyYXPMSMRJBSDKCO-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.52
Rot. Bonds2

About N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide

N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 104727171) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID104727171
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC NameN-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCc1cc(Cl)c(NC(=O)c2ccc3c(c2)CCN3)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-9-6-13(18)15(8-12(9)17)20-16(21)11-2-3-14-10(7-11)4-5-19-14/h2-3,6-8,19H,4-5H2,1H3,(H,20,21)
InChIKeyYXPMSMRJBSDKCO-UHFFFAOYSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325613
N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43438489
N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 62873180
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725697
N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43704526
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104618997
N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938285
N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43142437
N-(3-bromo-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 63334695
N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142516
N-(2-bromophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325607
N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325563

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 104727171) is N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide is Cc1cc(Cl)c(NC(=O)c2ccc3c(c2)CCN3)cc1Cl.
What is the InChIKey of N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is YXPMSMRJBSDKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-9-6-13(18)15(8-12(9)17)20-16(21)11-2-3-14-10(7-11)4-5-19-14/h2-3,6-8,19H,4-5H2,1H3,(H,20,21).
What are the key properties of N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 321.21 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 104727171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).