4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide

C15H14IN3O2 — CID 28881842

IUPAC4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide
SMILESNc1ccc(C(=O)NCC(=O)Nc2cccc(I)c2)cc1
InChIInChI=1S/C15H14IN3O2/c16-11-2-1-3-13(8-11)19-14(20)9-18-15(21)10-4-6-12(17)7-5-10/h1-8H,9,17H2,(H,18,21)(H,19,20)
InChIKeyBNFVUUASWAJZNM-UHFFFAOYSA-N
MW395.20 g/mol
LogP2.24
Rot. Bonds4

About 4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide

4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide (PubChem CID 28881842) has the molecular formula C15H14IN3O2 and a molecular weight of 395.20 g/mol. Its IUPAC name is 4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide
PubChem CID28881842
Molecular FormulaC15H14IN3O2
Molecular Weight395.20 g/mol
Exact Mass395.01
IUPAC Name4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide
SMILESNc1ccc(C(=O)NCC(=O)Nc2cccc(I)c2)cc1
InChIInChI=1S/C15H14IN3O2/c16-11-2-1-3-13(8-11)19-14(20)9-18-15(21)10-4-6-12(17)7-5-10/h1-8H,9,17H2,(H,18,21)(H,19,20)
InChIKeyBNFVUUASWAJZNM-UHFFFAOYSA-N
XLogP2.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
3,5-diamino-N-(3-iodophenyl)benzamide
CID 61095528
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
3-N-[2-(4-carbamoylanilino)-2-oxoethyl]benzene-1,3-dicarboxamide
CID 167774619
4-amino-N-[2-(1,2-oxazol-4-ylamino)-2-oxoethyl]benzamide
CID 62902736
4-fluoro-N-[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]benzamide
CID 55635839
2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771974
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide (CID 28881842) is 4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide is Nc1ccc(C(=O)NCC(=O)Nc2cccc(I)c2)cc1.
What is the InChIKey of 4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide?
The InChIKey is BNFVUUASWAJZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O2/c16-11-2-1-3-13(8-11)19-14(20)9-18-15(21)10-4-6-12(17)7-5-10/h1-8H,9,17H2,(H,18,21)(H,19,20).
What are the key properties of 4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide?
4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide has a molecular weight of 395.20 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-iodoanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 28881842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).