N-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide

C19H18ClN3O2 — CID 22510178

IUPACN-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide
SMILESCc1ccc2c(cnn2C(=O)CCC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C19H18ClN3O2/c1-13-6-7-17-15(10-13)12-22-23(17)19(25)9-8-18(24)21-11-14-4-2-3-5-16(14)20/h2-7,10,12H,8-9,11H2,1H3,(H,21,24)
InChIKeyCITAYNWDWVKUBI-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.73
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide

N-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide (PubChem CID 22510178) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide
PubChem CID22510178
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide
SMILESCc1ccc2c(cnn2C(=O)CCC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C19H18ClN3O2/c1-13-6-7-17-15(10-13)12-22-23(17)19(25)9-8-18(24)21-11-14-4-2-3-5-16(14)20/h2-7,10,12H,8-9,11H2,1H3,(H,21,24)
InChIKeyCITAYNWDWVKUBI-UHFFFAOYSA-N
XLogP3.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide (CID 22510178) is N-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide is Cc1ccc2c(cnn2C(=O)CCC(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide?
The InChIKey is CITAYNWDWVKUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13-6-7-17-15(10-13)12-22-23(17)19(25)9-8-18(24)21-11-14-4-2-3-5-16(14)20/h2-7,10,12H,8-9,11H2,1H3,(H,21,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide?
N-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide has a molecular weight of 355.83 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(5-methylindazol-1-yl)-4-oxobutanamide is sourced from PubChem (CID 22510178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).