N-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide

C15H13ClN4O2 — CID 126695974

IUPACN-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(N)n[nH]c3c2)cc1Cl
InChIInChI=1S/C15H13ClN4O2/c1-22-13-5-2-8(6-11(13)16)15(21)18-9-3-4-10-12(7-9)19-20-14(10)17/h2-7H,1H3,(H,18,21)(H3,17,19,20)
InChIKeyZEHWXUBGRAPHKD-UHFFFAOYSA-N
MW316.75 g/mol
LogP3.06
Rot. Bonds3

About N-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide

N-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide (PubChem CID 126695974) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is N-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide
PubChem CID126695974
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC NameN-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(N)n[nH]c3c2)cc1Cl
InChIInChI=1S/C15H13ClN4O2/c1-22-13-5-2-8(6-11(13)16)15(21)18-9-3-4-10-12(7-9)19-20-14(10)17/h2-7H,1H3,(H,18,21)(H3,17,19,20)
InChIKeyZEHWXUBGRAPHKD-UHFFFAOYSA-N
XLogP3.06
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
4-bromo-3-chloro-N-(3-chloro-4-methoxyphenyl)benzamide
CID 81307448
2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
CID 55043717
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide
CID 143165536
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 2994955
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide?
The IUPAC name of N-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide (CID 126695974) is N-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide.
What is the SMILES notation for N-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide?
The canonical SMILES for N-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3c(N)n[nH]c3c2)cc1Cl.
What is the InChIKey of N-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide?
The InChIKey is ZEHWXUBGRAPHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-22-13-5-2-8(6-11(13)16)15(21)18-9-3-4-10-12(7-9)19-20-14(10)17/h2-7H,1H3,(H,18,21)(H3,17,19,20).
What are the key properties of N-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide?
N-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide has a molecular weight of 316.75 g/mol, XLogP of 3.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1H-indazol-6-yl)-3-chloro-4-methoxybenzamide is sourced from PubChem (CID 126695974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).