N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide

C46H45Cl3N6O7 — CID 161116997

About N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide

N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 161116997) has the molecular formula C46H45Cl3N6O7 and a molecular weight of 900.26 g/mol. Its IUPAC name is N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide
• PubChem CID: 161116997
• Molecular Formula: C46H45Cl3N6O7
• Molecular Weight: 900.26 g/mol
• Exact Mass: 898.24
• IUPAC Name: N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2cc(Cl)c(C(C)(C)C#N)c(Cl)c2)cc1OC.COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3n[nH]c4ccccc34)c(Cl)c2)cc1OC
• InChI: InChI=1S/C27H27ClN4O4.C19H18Cl2N2O3/c1-27(2,15-29-26(34)24-18-7-5-6-8-21(18)31-32-24)19-11-10-17(14-20(19)28)30-25(33)16-9-12-22(35-3)23(13-16)36-4;1-19(2,10-22)17-13(20)8-12(9-14(17)21)23-18(24)11-5-6-15(25-3)16(7-11)26-4/h5-14H,15H2,1-4H3,(H,29,34)(H,30,33)(H,31,32);5-9H,1-4H3,(H,23,24)
• InChIKey: UKLHUHADSDSGPY-UHFFFAOYSA-N
• XLogP: 10.26
• TPSA: 176.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.26
LogP ≤ 5	10.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide?

The IUPAC name of N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide (CID 161116997) is N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide.

What is the SMILES notation for N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide?

The canonical SMILES for N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(Cl)c(C(C)(C)C#N)c(Cl)c2)cc1OC.COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3n[nH]c4ccccc34)c(Cl)c2)cc1OC.

What is the InChIKey of N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide?

The InChIKey is UKLHUHADSDSGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O4.C19H18Cl2N2O3/c1-27(2,15-29-26(34)24-18-7-5-6-8-21(18)31-32-24)19-11-10-17(14-20(19)28)30-25(33)16-9-12-22(35-3)23(13-16)36-4;1-19(2,10-22)17-13(20)8-12(9-14(17)21)23-18(24)11-5-6-15(25-3)16(7-11)26-4/h5-14H,15H2,1-4H3,(H,29,34)(H,30,33)(H,31,32);5-9H,1-4H3,(H,23,24).

What are the key properties of N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide?

N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 900.26 g/mol, XLogP of 10.26, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 161116997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).