2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide

C15H14ClIN2O2 — CID 26509562

IUPAC2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(I)cc2)cc1Cl
InChIInChI=1S/C15H14ClIN2O2/c1-21-14-7-6-12(8-13(14)16)18-9-15(20)19-11-4-2-10(17)3-5-11/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyOFANIRBDDHOIST-UHFFFAOYSA-N
MW416.65 g/mol
LogP4.00
Rot. Bonds5

About 2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide

2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide (PubChem CID 26509562) has the molecular formula C15H14ClIN2O2 and a molecular weight of 416.65 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
PubChem CID26509562
Molecular FormulaC15H14ClIN2O2
Molecular Weight416.65 g/mol
Exact Mass415.98
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(I)cc2)cc1Cl
InChIInChI=1S/C15H14ClIN2O2/c1-21-14-7-6-12(8-13(14)16)18-9-15(20)19-11-4-2-10(17)3-5-11/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyOFANIRBDDHOIST-UHFFFAOYSA-N
XLogP4.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.65
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9101828
N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109008840
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846121
N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853
2-(3-chloro-4-methoxyanilino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 109008828
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552
2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54819265
2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54819290

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide (CID 26509562) is 2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide is COc1ccc(NCC(=O)Nc2ccc(I)cc2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide?
The InChIKey is OFANIRBDDHOIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O2/c1-21-14-7-6-12(8-13(14)16)18-9-15(20)19-11-4-2-10(17)3-5-11/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide?
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide has a molecular weight of 416.65 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide is sourced from PubChem (CID 26509562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).