4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide

C26H22ClN3O3 — CID 175350326

IUPAC4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)c1ccc(CNC2=C(Cl)C(O)c3ccccc3C2O)cc1
InChIInChI=1S/C26H22ClN3O3/c27-22-23(25(32)20-4-2-1-3-19(20)24(22)31)29-14-15-5-7-16(8-6-15)26(33)30-18-9-10-21-17(13-18)11-12-28-21/h1-13,24-25,28-29,31-32H,14H2,(H,30,33)
InChIKeyAQNBMPHGNFQGPC-UHFFFAOYSA-N
MW459.93 g/mol
LogP4.74
Rot. Bonds5

About 4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide

4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide (PubChem CID 175350326) has the molecular formula C26H22ClN3O3 and a molecular weight of 459.93 g/mol. Its IUPAC name is 4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide.

Molecular Properties

Compound Name4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide
PubChem CID175350326
Molecular FormulaC26H22ClN3O3
Molecular Weight459.93 g/mol
Exact Mass459.13
IUPAC Name4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)c1ccc(CNC2=C(Cl)C(O)c3ccccc3C2O)cc1
InChIInChI=1S/C26H22ClN3O3/c27-22-23(25(32)20-4-2-1-3-19(20)24(22)31)29-14-15-5-7-16(8-6-15)26(33)30-18-9-10-21-17(13-18)11-12-28-21/h1-13,24-25,28-29,31-32H,14H2,(H,30,33)
InChIKeyAQNBMPHGNFQGPC-UHFFFAOYSA-N
XLogP4.74
TPSA97.38 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 54.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide
CID 60985220
3,5-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571909
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780
N-(3-ethylphenyl)-1H-indole-5-carboxamide
CID 63717864
3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid
CID 75495645
N-(1H-indol-5-yl)-4-pyridin-3-ylbenzamide
CID 59673715
N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 72581666
6-chloro-N-(1H-indol-5-yl)pyrazine-2-carboxamide
CID 103186986
N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide
CID 110473206
1-(1H-indol-5-yl)-3-(2-phenylethyl)urea
CID 155412352
2,4-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571914

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide?
The IUPAC name of 4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide (CID 175350326) is 4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide.
What is the SMILES notation for 4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide?
The canonical SMILES for 4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide is O=C(Nc1ccc2[nH]ccc2c1)c1ccc(CNC2=C(Cl)C(O)c3ccccc3C2O)cc1.
What is the InChIKey of 4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide?
The InChIKey is AQNBMPHGNFQGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3/c27-22-23(25(32)20-4-2-1-3-19(20)24(22)31)29-14-15-5-7-16(8-6-15)26(33)30-18-9-10-21-17(13-18)11-12-28-21/h1-13,24-25,28-29,31-32H,14H2,(H,30,33).
What are the key properties of 4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide?
4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide has a molecular weight of 459.93 g/mol, XLogP of 4.74, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide is sourced from PubChem (CID 175350326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).