N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide

C23H24N4O2 — CID 55635672

IUPACN-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide
SMILESCn1ncc2c1CCCC2NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H24N4O2/c1-27-21-9-5-8-20(19(21)14-25-27)26-22(28)15-24-23(29)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-4,6-7,10-14,20H,5,8-9,15H2,1H3,(H,24,29)(H,26,28)
InChIKeyIXBZDAWLWYQEFP-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.01
Rot. Bonds5

About N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide

N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 55635672) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide
PubChem CID55635672
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide
SMILESCn1ncc2c1CCCC2NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H24N4O2/c1-27-21-9-5-8-20(19(21)14-25-27)26-22(28)15-24-23(29)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-4,6-7,10-14,20H,5,8-9,15H2,1H3,(H,24,29)(H,26,28)
InChIKeyIXBZDAWLWYQEFP-UHFFFAOYSA-N
XLogP3.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
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CID 55635561
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
CID 63979904
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 61213666
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
(2S)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylpropanamide
CID 119293122
(2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide
CID 97258746
2-cyclopentyloxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 71939980

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide (CID 55635672) is N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide is Cn1ncc2c1CCCC2NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is IXBZDAWLWYQEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-27-21-9-5-8-20(19(21)14-25-27)26-22(28)15-24-23(29)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-4,6-7,10-14,20H,5,8-9,15H2,1H3,(H,24,29)(H,26,28).
What are the key properties of N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 55635672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).