9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide

C24H23ClN2O2 — CID 174417997

IUPAC9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
SMILESCOc1ccc(Cn2c3cc(C(C)C)ccc3c3c(C(N)=O)cccc32)cc1Cl
InChIInChI=1S/C24H23ClN2O2/c1-14(2)16-8-9-17-21(12-16)27(13-15-7-10-22(29-3)19(25)11-15)20-6-4-5-18(23(17)20)24(26)28/h4-12,14H,13H2,1-3H3,(H2,26,28)
InChIKeyMOALPQXFXRZSPC-UHFFFAOYSA-N
MW406.91 g/mol
LogP5.73
Rot. Bonds5

About 9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide

9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide (PubChem CID 174417997) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
PubChem CID174417997
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
SMILESCOc1ccc(Cn2c3cc(C(C)C)ccc3c3c(C(N)=O)cccc32)cc1Cl
InChIInChI=1S/C24H23ClN2O2/c1-14(2)16-8-9-17-21(12-16)27(13-15-7-10-22(29-3)19(25)11-15)20-6-4-5-18(23(17)20)24(26)28/h4-12,14H,13H2,1-3H3,(H2,26,28)
InChIKeyMOALPQXFXRZSPC-UHFFFAOYSA-N
XLogP5.73
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174401344
9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174414327
9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174401035
9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174401296
9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 175235943
9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174414833
9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174400022
9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174414684
7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417826
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 175233547
9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400045

Frequently Asked Questions

What is the IUPAC name of 9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
The IUPAC name of 9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide (CID 174417997) is 9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide is COc1ccc(Cn2c3cc(C(C)C)ccc3c3c(C(N)=O)cccc32)cc1Cl.
What is the InChIKey of 9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
The InChIKey is MOALPQXFXRZSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-14(2)16-8-9-17-21(12-16)27(13-15-7-10-22(29-3)19(25)11-15)20-6-4-5-18(23(17)20)24(26)28/h4-12,14H,13H2,1-3H3,(H2,26,28).
What are the key properties of 9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide has a molecular weight of 406.91 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide is sourced from PubChem (CID 174417997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).