4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide

C27H25N3O3 — CID 46091633

IUPAC4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3n[nH]c4c3CCc3cc(OC)ccc3-4)cc2)c1
InChIInChI=1S/C27H25N3O3/c1-32-21-5-3-4-17(14-21)16-28-27(31)19-8-6-18(7-9-19)25-24-12-10-20-15-22(33-2)11-13-23(20)26(24)30-29-25/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyRLPJZDQKWWXZIY-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.79
Rot. Bonds6

About 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide

4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 46091633) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID46091633
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3n[nH]c4c3CCc3cc(OC)ccc3-4)cc2)c1
InChIInChI=1S/C27H25N3O3/c1-32-21-5-3-4-17(14-21)16-28-27(31)19-8-6-18(7-9-19)25-24-12-10-20-15-22(33-2)11-13-23(20)26(24)30-29-25/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyRLPJZDQKWWXZIY-UHFFFAOYSA-N
XLogP4.79
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide
CID 91633968
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-(2-methylsulfanylethyl)benzamide
CID 46704846
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 93017301
N-(2,3-dihydro-1H-inden-2-yl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)benzamide
CID 46091673
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[3-(N-methylanilino)propyl]benzamide
CID 46091725
7-methoxy-N-(pyridin-3-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954035
N-(cyclopropylmethyl)-4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-propylbenzamide
CID 46092028
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
N-[(4-chlorophenyl)methyl]-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954044
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 22260682

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide (CID 46091633) is 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2ccc(-c3n[nH]c4c3CCc3cc(OC)ccc3-4)cc2)c1.
What is the InChIKey of 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is RLPJZDQKWWXZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-32-21-5-3-4-17(14-21)16-28-27(31)19-8-6-18(7-9-19)25-24-12-10-20-15-22(33-2)11-13-23(20)26(24)30-29-25/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide?
4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 439.52 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-4,5-dihydro-1H-benzo[g]indazol-3-yl)-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 46091633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).