9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide

C27H20Cl2N2O2 — CID 175233542

IUPAC9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
SMILESCOc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4ccc(Cl)c(Cl)c4)c3c2)cc1
InChIInChI=1S/C27H20Cl2N2O2/c1-33-19-9-6-17(7-10-19)18-8-11-20-25(14-18)31(15-16-5-12-22(28)23(29)13-16)24-4-2-3-21(26(20)24)27(30)32/h2-14H,15H2,1H3,(H2,30,32)
InChIKeyAMKQREKDBWKHJC-UHFFFAOYSA-N
MW475.38 g/mol
LogP6.92
Rot. Bonds5

About 9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide

9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide (PubChem CID 175233542) has the molecular formula C27H20Cl2N2O2 and a molecular weight of 475.38 g/mol. Its IUPAC name is 9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
PubChem CID175233542
Molecular FormulaC27H20Cl2N2O2
Molecular Weight475.38 g/mol
Exact Mass474.09
IUPAC Name9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
SMILESCOc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4ccc(Cl)c(Cl)c4)c3c2)cc1
InChIInChI=1S/C27H20Cl2N2O2/c1-33-19-9-6-17(7-10-19)18-8-11-20-25(14-18)31(15-16-5-12-22(28)23(29)13-16)24-4-2-3-21(26(20)24)27(30)32/h2-14H,15H2,1H3,(H2,30,32)
InChIKeyAMKQREKDBWKHJC-UHFFFAOYSA-N
XLogP6.92
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.38
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

LM-4108
CID 4292
Indomethacin-amide derivative, 21
CID 42618097
Indomethacin-amide derivative, 22
CID 42618098
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2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-(2,5-dimethylphenyl)acetamide
CID 2352853
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CID 9825527
2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(1-p-tolyl-ethyl)-acetamide
CID 9847751
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CID 9849164
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 9912793
2-[1-(4-Chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-(2-methyl-benzyl)-acetamide
CID 9955928
N-(4-Acetyl-benzyl)-2-[1-(4-chloro-benzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]-acetamide
CID 10624880
N-(3,5-dichloro-4-pyridinyl)-1-[(4-methoxyphenyl)methyl]-3-methylindole-6-carboxamide
CID 44298255

Frequently Asked Questions

What is the IUPAC name of 9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide (CID 175233542) is 9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide is COc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4ccc(Cl)c(Cl)c4)c3c2)cc1.
What is the InChIKey of 9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The InChIKey is AMKQREKDBWKHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N2O2/c1-33-19-9-6-17(7-10-19)18-8-11-20-25(14-18)31(15-16-5-12-22(28)23(29)13-16)24-4-2-3-21(26(20)24)27(30)32/h2-14H,15H2,1H3,(H2,30,32).
What are the key properties of 9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide has a molecular weight of 475.38 g/mol, XLogP of 6.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,4-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide is sourced from PubChem (CID 175233542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).