N-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C18H19BrN2O2 — CID 31145392

IUPACN-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(Br)cc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C18H19BrN2O2/c1-11-16-14(4-3-5-15(16)22)20-17(11)18(23)21(2)10-12-6-8-13(19)9-7-12/h6-9,20H,3-5,10H2,1-2H3
InChIKeyHKXJMMZTMPJUCW-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.88
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 31145392) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID31145392
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(Br)cc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C18H19BrN2O2/c1-11-16-14(4-3-5-15(16)22)20-17(11)18(23)21(2)10-12-6-8-13(19)9-7-12/h6-9,20H,3-5,10H2,1-2H3
InChIKeyHKXJMMZTMPJUCW-UHFFFAOYSA-N
XLogP3.88
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 31145392) is N-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)N(C)Cc2ccc(Br)cc2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is HKXJMMZTMPJUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-11-16-14(4-3-5-15(16)22)20-17(11)18(23)21(2)10-12-6-8-13(19)9-7-12/h6-9,20H,3-5,10H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 31145392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).