9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide

C28H23N3O3 — CID 174400022

IUPAC9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
SMILESCOc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4ccc(C(N)=O)cc4)c3c2)cc1
InChIInChI=1S/C28H23N3O3/c1-34-21-12-9-18(10-13-21)20-11-14-22-25(15-20)31(16-17-5-7-19(8-6-17)27(29)32)24-4-2-3-23(26(22)24)28(30)33/h2-15H,16H2,1H3,(H2,29,32)(H2,30,33)
InChIKeyOEMQATZSFIXPGD-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.72
Rot. Bonds6

About 9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide

9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide (PubChem CID 174400022) has the molecular formula C28H23N3O3 and a molecular weight of 449.51 g/mol. Its IUPAC name is 9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
PubChem CID174400022
Molecular FormulaC28H23N3O3
Molecular Weight449.51 g/mol
Exact Mass449.17
IUPAC Name9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
SMILESCOc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4ccc(C(N)=O)cc4)c3c2)cc1
InChIInChI=1S/C28H23N3O3/c1-34-21-12-9-18(10-13-21)20-11-14-22-25(15-20)31(16-17-5-7-19(8-6-17)27(29)32)24-4-2-3-23(26(22)24)28(30)33/h2-15H,16H2,1H3,(H2,29,32)(H2,30,33)
InChIKeyOEMQATZSFIXPGD-UHFFFAOYSA-N
XLogP4.72
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 175233547
9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174418321
9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414302
9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414385
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174414282
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414760
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414660
9-[(3-chloro-4-methoxyphenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174401344
7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417826

Frequently Asked Questions

What is the IUPAC name of 9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide (CID 174400022) is 9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide is COc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4ccc(C(N)=O)cc4)c3c2)cc1.
What is the InChIKey of 9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The InChIKey is OEMQATZSFIXPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O3/c1-34-21-12-9-18(10-13-21)20-11-14-22-25(15-20)31(16-17-5-7-19(8-6-17)27(29)32)24-4-2-3-23(26(22)24)28(30)33/h2-15H,16H2,1H3,(H2,29,32)(H2,30,33).
What are the key properties of 9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide is sourced from PubChem (CID 174400022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).