6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide

C20H18Cl2N2O2 — CID 157136545

IUPAC6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(O)c(Cl)c1)N1CCC2=C(Cc3ccc(Cl)cc32)C1
InChIInChI=1S/C20H18Cl2N2O2/c21-15-3-2-13-8-14-11-24(6-5-16(14)17(13)9-15)20(26)23-10-12-1-4-19(25)18(22)7-12/h1-4,7,9,25H,5-6,8,10-11H2,(H,23,26)
InChIKeyAJRNTYCGPWMHFX-UHFFFAOYSA-N
MW389.28 g/mol
LogP4.62
Rot. Bonds2

About 6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide

6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide (PubChem CID 157136545) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is 6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide
PubChem CID157136545
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC Name6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(O)c(Cl)c1)N1CCC2=C(Cc3ccc(Cl)cc32)C1
InChIInChI=1S/C20H18Cl2N2O2/c21-15-3-2-13-8-14-11-24(6-5-16(14)17(13)9-15)20(26)23-10-12-1-4-19(25)18(22)7-12/h1-4,7,9,25H,5-6,8,10-11H2,(H,23,26)
InChIKeyAJRNTYCGPWMHFX-UHFFFAOYSA-N
XLogP4.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide with MolForge

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Related Compounds

2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone
CID 161050132
(4-chloro-2,3-dihydroxyphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
CID 159995881
(3-chloro-4-ethylphenyl)-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
CID 160679379
4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 52934262
N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 12002499
N-[(4-chlorophenyl)methyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108899252
4-[(6-chloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]butanoic acid
CID 122022690
N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
CID 121497136
4-(2,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107693
6,7-dimethoxy-N-[[4-(methoxymethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 35689824
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113106629
(3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide
CID 56909428

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide (CID 157136545) is 6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide is O=C(NCc1ccc(O)c(Cl)c1)N1CCC2=C(Cc3ccc(Cl)cc32)C1.
What is the InChIKey of 6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide?
The InChIKey is AJRNTYCGPWMHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c21-15-3-2-13-8-14-11-24(6-5-16(14)17(13)9-15)20(26)23-10-12-1-4-19(25)18(22)7-12/h1-4,7,9,25H,5-6,8,10-11H2,(H,23,26).
What are the key properties of 6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide?
6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide has a molecular weight of 389.28 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-chloro-4-hydroxyphenyl)methyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carboxamide is sourced from PubChem (CID 157136545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).