N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide

C21H17Cl3N4 — CID 171793289

IUPACN'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide
SMILESN/C=N/CCc1cc(Nc2ccc(Cl)cc2)cc2c1[nH]c1cc(Cl)c(Cl)cc12
InChIInChI=1S/C21H17Cl3N4/c22-13-1-3-14(4-2-13)27-15-7-12(5-6-26-11-25)21-17(8-15)16-9-18(23)19(24)10-20(16)28-21/h1-4,7-11,27-28H,5-6H2,(H2,25,26)
InChIKeyIZPHETNAKGSKDH-UHFFFAOYSA-N
MW431.75 g/mol
LogP6.55
Rot. Bonds5

About N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide

N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide (PubChem CID 171793289) has the molecular formula C21H17Cl3N4 and a molecular weight of 431.75 g/mol. Its IUPAC name is N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide.

Molecular Properties

Compound NameN'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide
PubChem CID171793289
Molecular FormulaC21H17Cl3N4
Molecular Weight431.75 g/mol
Exact Mass430.05
IUPAC NameN'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide
SMILESN/C=N/CCc1cc(Nc2ccc(Cl)cc2)cc2c1[nH]c1cc(Cl)c(Cl)cc12
InChIInChI=1S/C21H17Cl3N4/c22-13-1-3-14(4-2-13)27-15-7-12(5-6-26-11-25)21-17(8-15)16-9-18(23)19(24)10-20(16)28-21/h1-4,7-11,27-28H,5-6H2,(H2,25,26)
InChIKeyIZPHETNAKGSKDH-UHFFFAOYSA-N
XLogP6.55
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.75
LogP ≤ 56.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide?
The IUPAC name of N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide (CID 171793289) is N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide.
What is the SMILES notation for N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide?
The canonical SMILES for N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide is N/C=N/CCc1cc(Nc2ccc(Cl)cc2)cc2c1[nH]c1cc(Cl)c(Cl)cc12.
What is the InChIKey of N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide?
The InChIKey is IZPHETNAKGSKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N4/c22-13-1-3-14(4-2-13)27-15-7-12(5-6-26-11-25)21-17(8-15)16-9-18(23)19(24)10-20(16)28-21/h1-4,7-11,27-28H,5-6H2,(H2,25,26).
What are the key properties of N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide?
N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide has a molecular weight of 431.75 g/mol, XLogP of 6.55, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[6,7-dichloro-3-(4-chloroanilino)-9H-carbazol-1-yl]ethyl]methanimidamide is sourced from PubChem (CID 171793289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).