5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide

C20H19ClN2O — CID 33057879

IUPAC5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C2CC2)cc1
InChIInChI=1S/C20H19ClN2O/c1-13-2-4-14(5-3-13)12-23(17-7-8-17)20(24)19-11-15-10-16(21)6-9-18(15)22-19/h2-6,9-11,17,22H,7-8,12H2,1H3
InChIKeyKSWAZFSAGMHOOD-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.93
Rot. Bonds4

About 5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide

5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 33057879) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID33057879
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C2CC2)cc1
InChIInChI=1S/C20H19ClN2O/c1-13-2-4-14(5-3-13)12-23(17-7-8-17)20(24)19-11-15-10-16(21)6-9-18(15)22-19/h2-6,9-11,17,22H,7-8,12H2,1H3
InChIKeyKSWAZFSAGMHOOD-UHFFFAOYSA-N
XLogP4.93
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide (CID 33057879) is 5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide is Cc1ccc(CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C2CC2)cc1.
What is the InChIKey of 5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is KSWAZFSAGMHOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c1-13-2-4-14(5-3-13)12-23(17-7-8-17)20(24)19-11-15-10-16(21)6-9-18(15)22-19/h2-6,9-11,17,22H,7-8,12H2,1H3.
What are the key properties of 5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide?
5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 33057879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).