4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide

C22H20N4O — CID 143165721

IUPAC4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide
SMILES[H]/N=C(\N)c1ccc(C(=O)Nc2ccc3c4ccccc4n(CC)c3c2)cc1
InChIInChI=1S/C22H20N4O/c1-2-26-19-6-4-3-5-17(19)18-12-11-16(13-20(18)26)25-22(27)15-9-7-14(8-10-15)21(23)24/h3-13H,2H2,1H3,(H3,23,24)(H,25,27)
InChIKeyUOMPKXFYZSJEEW-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.35
Rot. Bonds4

About 4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide

4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide (PubChem CID 143165721) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide.

Molecular Properties

Compound Name4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide
PubChem CID143165721
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide
SMILES[H]/N=C(\N)c1ccc(C(=O)Nc2ccc3c4ccccc4n(CC)c3c2)cc1
InChIInChI=1S/C22H20N4O/c1-2-26-19-6-4-3-5-17(19)18-12-11-16(13-20(18)26)25-22(27)15-9-7-14(8-10-15)21(23)24/h3-13H,2H2,1H3,(H3,23,24)(H,25,27)
InChIKeyUOMPKXFYZSJEEW-UHFFFAOYSA-N
XLogP4.35
TPSA83.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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4-(azepan-1-ylmethyl)-N-(9-ethylcarbazol-3-yl)benzamide
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N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 35740949
4-carbamimidoyl-N-(3,4-dimethoxyphenyl)benzamide
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N-(9-ethylcarbazol-3-yl)-2-fluorobenzamide
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ethyl 4-[(9-ethylcarbazol-3-yl)carbamoylamino]benzoate
CID 17179913
5-bromo-N-(9-ethylcarbazol-3-yl)thiophene-2-carboxamide
CID 2313809
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
CID 151305092
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
N-(9-ethylcarbazol-3-yl)-1-methylpyrrole-2-carboxamide
CID 10267869
2-ethyl-N-(9-ethylcarbazol-3-yl)-5-methylpyrazole-3-carboxamide
CID 60619206
4-[(9-ethylcarbazol-3-yl)amino]-5-methylsulfanylthiophene-2-carboximidamide
CID 18537301

Frequently Asked Questions

What is the IUPAC name of 4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide?
The IUPAC name of 4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide (CID 143165721) is 4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide.
What is the SMILES notation for 4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide?
The canonical SMILES for 4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide is [H]/N=C(\N)c1ccc(C(=O)Nc2ccc3c4ccccc4n(CC)c3c2)cc1.
What is the InChIKey of 4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide?
The InChIKey is UOMPKXFYZSJEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-2-26-19-6-4-3-5-17(19)18-12-11-16(13-20(18)26)25-22(27)15-9-7-14(8-10-15)21(23)24/h3-13H,2H2,1H3,(H3,23,24)(H,25,27).
What are the key properties of 4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide?
4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide has a molecular weight of 356.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide is sourced from PubChem (CID 143165721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).