N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

C25H32ClN3O3 — CID 170259946

IUPACN-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C25H32ClN3O3/c1-5-6-10-18(23(31)27-14-16-8-7-9-17(26)11-16)29-24(32)22-15(2)21-19(28-22)12-25(3,4)13-20(21)30/h7-9,11,18,28H,5-6,10,12-14H2,1-4H3,(H,27,31)(H,29,32)
InChIKeyZLGKMQJSAGNVLR-UHFFFAOYSA-N
MW458.00 g/mol
LogP4.74
Rot. Bonds8

About N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 170259946) has the molecular formula C25H32ClN3O3 and a molecular weight of 458.00 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID170259946
Molecular FormulaC25H32ClN3O3
Molecular Weight458.00 g/mol
Exact Mass457.21
IUPAC NameN-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C25H32ClN3O3/c1-5-6-10-18(23(31)27-14-16-8-7-9-17(26)11-16)29-24(32)22-15(2)21-19(28-22)12-25(3,4)13-20(21)30/h7-9,11,18,28H,5-6,10,12-14H2,1-4H3,(H,27,31)(H,29,32)
InChIKeyZLGKMQJSAGNVLR-UHFFFAOYSA-N
XLogP4.74
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.00
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (CID 170259946) is N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is ZLGKMQJSAGNVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O3/c1-5-6-10-18(23(31)27-14-16-8-7-9-17(26)11-16)29-24(32)22-15(2)21-19(28-22)12-25(3,4)13-20(21)30/h7-9,11,18,28H,5-6,10,12-14H2,1-4H3,(H,27,31)(H,29,32).
What are the key properties of N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 458.00 g/mol, XLogP of 4.74, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 170259946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).