N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide

C27H24N2O — CID 20656390

IUPACN-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2ccc3c4ccccc4[nH]c3c2c(C)c1C
InChIInChI=1S/C27H24N2O/c1-4-18-9-5-7-11-23(18)29-27(30)22-15-19-13-14-21-20-10-6-8-12-24(20)28-26(21)25(19)17(3)16(22)2/h5-15,28H,4H2,1-3H3,(H,29,30)
InChIKeyUMQDXNOSVWWYEN-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.91
Rot. Bonds3

About N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide

N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 20656390) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide
PubChem CID20656390
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC NameN-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2ccc3c4ccccc4[nH]c3c2c(C)c1C
InChIInChI=1S/C27H24N2O/c1-4-18-9-5-7-11-23(18)29-27(30)22-15-19-13-14-21-20-10-6-8-12-24(20)28-26(21)25(19)17(3)16(22)2/h5-15,28H,4H2,1-3H3,(H,29,30)
InChIKeyUMQDXNOSVWWYEN-UHFFFAOYSA-N
XLogP6.91
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
2-hydroxy-N-[2-[[4-(N-phenylanilino)phenyl]methyl]phenyl]-11H-benzo[a]carbazole-3-carboxamide;methane
CID 159621347
1-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-2-hydroxy-N-(2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 136620032
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 148944384
N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66498057
N-(2-ethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857760
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
2-(1-methyl-9H-carbazol-2-yl)acetic acid
CID 54249777
N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23877086
2-hydroxy-N-(3-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 14008608
7-chloro-N-(2-ethylphenyl)-8-methyl-4-oxo-1H-quinoline-3-carboxamide
CID 43860282

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide (CID 20656390) is N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide is CCc1ccccc1NC(=O)c1cc2ccc3c4ccccc4[nH]c3c2c(C)c1C.
What is the InChIKey of N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is UMQDXNOSVWWYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-4-18-9-5-7-11-23(18)29-27(30)22-15-19-13-14-21-20-10-6-8-12-24(20)28-26(21)25(19)17(3)16(22)2/h5-15,28H,4H2,1-3H3,(H,29,30).
What are the key properties of N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide?
N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 6.91, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 20656390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).