N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide

C22H16ClI2N3O — CID 6256527

IUPACN-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide
SMILESO=C(CCn1c2ccc(I)cc2c2cc(I)ccc21)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClI2N3O/c23-15-3-1-14(2-4-15)13-26-27-22(29)9-10-28-20-7-5-16(24)11-18(20)19-12-17(25)6-8-21(19)28/h1-8,11-13H,9-10H2,(H,27,29)/b26-13-
InChIKeyHBPULJVUZMTCGF-ZMFRSBBQSA-N
MW627.65 g/mol
LogP6.20
Rot. Bonds5

About N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide

N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide (PubChem CID 6256527) has the molecular formula C22H16ClI2N3O and a molecular weight of 627.65 g/mol. Its IUPAC name is N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide
PubChem CID6256527
Molecular FormulaC22H16ClI2N3O
Molecular Weight627.65 g/mol
Exact Mass626.91
IUPAC NameN-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide
SMILESO=C(CCn1c2ccc(I)cc2c2cc(I)ccc21)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClI2N3O/c23-15-3-1-14(2-4-15)13-26-27-22(29)9-10-28-20-7-5-16(24)11-18(20)19-12-17(25)6-8-21(19)28/h1-8,11-13H,9-10H2,(H,27,29)/b26-13-
InChIKeyHBPULJVUZMTCGF-ZMFRSBBQSA-N
XLogP6.20
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.65
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,6-diiodocarbazol-9-yl)-N-[(4-fluorophenyl)methylideneamino]propanamide
CID 3618962
3-(3,6-diiodocarbazol-9-yl)-N-(pyridin-2-ylmethylideneamino)propanamide
CID 4681398
3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]propanamide
CID 6382683
3-(3,6-diiodocarbazol-9-yl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]propanamide
CID 6084127
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide
CID 54610044
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 6157442
N-[(4-chlorophenyl)methylideneamino]hexanamide
CID 4197078
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376174
N-[(Z)-2-(4-butoxyphenyl)ethylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide
CID 6381347
3-carbazol-9-yl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135470781
1-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]-2,3-dimethylindole-5-carboxamide
CID 6875064

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide?
The IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide (CID 6256527) is N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide.
What is the SMILES notation for N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide?
The canonical SMILES for N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide is O=C(CCn1c2ccc(I)cc2c2cc(I)ccc21)N/N=C\c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide?
The InChIKey is HBPULJVUZMTCGF-ZMFRSBBQSA-N. The full InChI is InChI=1S/C22H16ClI2N3O/c23-15-3-1-14(2-4-15)13-26-27-22(29)9-10-28-20-7-5-16(24)11-18(20)19-12-17(25)6-8-21(19)28/h1-8,11-13H,9-10H2,(H,27,29)/b26-13-.
What are the key properties of N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide?
N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide has a molecular weight of 627.65 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chlorophenyl)methylideneamino]-3-(3,6-diiodocarbazol-9-yl)propanamide is sourced from PubChem (CID 6256527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).