N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide

C15H13ClIN3O — CID 1376174

IUPACN-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
SMILESO=C(CNc1ccc(I)cc1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClIN3O/c16-12-3-1-11(2-4-12)9-19-20-15(21)10-18-14-7-5-13(17)6-8-14/h1-9,18H,10H2,(H,20,21)
InChIKeyPBILKAQOJWBSJB-UHFFFAOYSA-N
MW413.65 g/mol
LogP3.51
Rot. Bonds5

About N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide

N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide (PubChem CID 1376174) has the molecular formula C15H13ClIN3O and a molecular weight of 413.65 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
PubChem CID1376174
Molecular FormulaC15H13ClIN3O
Molecular Weight413.65 g/mol
Exact Mass412.98
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
SMILESO=C(CNc1ccc(I)cc1)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClIN3O/c16-12-3-1-11(2-4-12)9-19-20-15(21)10-18-14-7-5-13(17)6-8-14/h1-9,18H,10H2,(H,20,21)
InChIKeyPBILKAQOJWBSJB-UHFFFAOYSA-N
XLogP3.51
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.65
LogP ≤ 53.51
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

2-(4-chloroanilino)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 690289
N-[(4-fluorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376291
N-[(4-chlorophenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689465
2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 1243754
N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126182695
2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 5392445
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 6157442
N-[(E)-(4-iodophenyl)methylideneamino]-N'-[(Z)-(4-iodophenyl)methylideneamino]pentanediamide
CID 54610044
2-anilino-N-[(Z)-(4-anilinophenyl)methylideneamino]acetamide
CID 7601999
2-(4-chloroanilino)-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126368921
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-iodoanilino)acetamide
CID 126048433
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide (CID 1376174) is N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide is O=C(CNc1ccc(I)cc1)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide?
The InChIKey is PBILKAQOJWBSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClIN3O/c16-12-3-1-11(2-4-12)9-19-20-15(21)10-18-14-7-5-13(17)6-8-14/h1-9,18H,10H2,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide?
N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide has a molecular weight of 413.65 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide is sourced from PubChem (CID 1376174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).