N-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide

C20H20ClN3O2 — CID 22510130

IUPACN-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
SMILESCc1ccc2c(cnn2C(=O)CCCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H20ClN3O2/c1-14-5-10-18-16(11-14)13-23-24(18)20(26)4-2-3-19(25)22-12-15-6-8-17(21)9-7-15/h5-11,13H,2-4,12H2,1H3,(H,22,25)
InChIKeyAEHWMURFPBYGPD-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.13
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide

N-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide (PubChem CID 22510130) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
PubChem CID22510130
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
SMILESCc1ccc2c(cnn2C(=O)CCCC(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H20ClN3O2/c1-14-5-10-18-16(11-14)13-23-24(18)20(26)4-2-3-19(25)22-12-15-6-8-17(21)9-7-15/h5-11,13H,2-4,12H2,1H3,(H,22,25)
InChIKeyAEHWMURFPBYGPD-UHFFFAOYSA-N
XLogP4.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide (CID 22510130) is N-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide is Cc1ccc2c(cnn2C(=O)CCCC(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The InChIKey is AEHWMURFPBYGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-5-10-18-16(11-14)13-23-24(18)20(26)4-2-3-19(25)22-12-15-6-8-17(21)9-7-15/h5-11,13H,2-4,12H2,1H3,(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
N-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide has a molecular weight of 369.85 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide is sourced from PubChem (CID 22510130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).