2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

C29H25ClN2O2 — CID 155559210

IUPAC2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(-c4ccccc4Cl)ccc32)c1
InChIInChI=1S/C29H25ClN2O2/c1-31(18-20-8-7-9-22(16-20)34-2)29(33)19-32-27-13-6-4-11-24(27)25-17-21(14-15-28(25)32)23-10-3-5-12-26(23)30/h3-17H,18-19H2,1-2H3
InChIKeyPANKDBYTFNCXIC-UHFFFAOYSA-N
MW468.98 g/mol
LogP6.78
Rot. Bonds6

About 2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 155559210) has the molecular formula C29H25ClN2O2 and a molecular weight of 468.98 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID155559210
Molecular FormulaC29H25ClN2O2
Molecular Weight468.98 g/mol
Exact Mass468.16
IUPAC Name2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(-c4ccccc4Cl)ccc32)c1
InChIInChI=1S/C29H25ClN2O2/c1-31(18-20-8-7-9-22(16-20)34-2)29(33)19-32-27-13-6-4-11-24(27)25-17-21(14-15-28(25)32)23-10-3-5-12-26(23)30/h3-17H,18-19H2,1-2H3
InChIKeyPANKDBYTFNCXIC-UHFFFAOYSA-N
XLogP6.78
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.98
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide (CID 155559210) is 2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(-c4ccccc4Cl)ccc32)c1.
What is the InChIKey of 2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is PANKDBYTFNCXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN2O2/c1-31(18-20-8-7-9-22(16-20)34-2)29(33)19-32-27-13-6-4-11-24(27)25-17-21(14-15-28(25)32)23-10-3-5-12-26(23)30/h3-17H,18-19H2,1-2H3.
What are the key properties of 2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide?
2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 468.98 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 155559210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).