N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide

C16H15ClIN3O — CID 6157442

IUPACN-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
SMILESCc1cc(I)ccc1NCC(=O)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClIN3O/c1-11-8-14(18)6-7-15(11)19-10-16(22)21-20-9-12-2-4-13(17)5-3-12/h2-9,19H,10H2,1H3,(H,21,22)/b20-9-
InChIKeySEDHCRJCNMVDRW-UKWGHVSLSA-N
MW427.67 g/mol
LogP3.82
Rot. Bonds5

About N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide

N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide (PubChem CID 6157442) has the molecular formula C16H15ClIN3O and a molecular weight of 427.67 g/mol. Its IUPAC name is N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
PubChem CID6157442
Molecular FormulaC16H15ClIN3O
Molecular Weight427.67 g/mol
Exact Mass426.99
IUPAC NameN-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
SMILESCc1cc(I)ccc1NCC(=O)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClIN3O/c1-11-8-14(18)6-7-15(11)19-10-16(22)21-20-9-12-2-4-13(17)5-3-12/h2-9,19H,10H2,1H3,(H,21,22)/b20-9-
InChIKeySEDHCRJCNMVDRW-UKWGHVSLSA-N
XLogP3.82
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.67
LogP ≤ 53.82
H-Bond Donors ≤ 52
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

N-[(4-chlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 968022
2-(4-chloro-2-methylanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135719923
N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 3930729
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376174
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(4-iodo-2-methylanilino)acetamide
CID 3403757
2-(4-chloro-2-methylanilino)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 770382
2-(4-chloro-2-methylanilino)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 6110623
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 3632618
2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 967994
2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
N-[(4-bromophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630248

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide?
The IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide (CID 6157442) is N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide?
The canonical SMILES for N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide is Cc1cc(I)ccc1NCC(=O)N/N=C\c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide?
The InChIKey is SEDHCRJCNMVDRW-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H15ClIN3O/c1-11-8-14(18)6-7-15(11)19-10-16(22)21-20-9-12-2-4-13(17)5-3-12/h2-9,19H,10H2,1H3,(H,21,22)/b20-9-.
What are the key properties of N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide?
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide has a molecular weight of 427.67 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide is sourced from PubChem (CID 6157442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).