4-(4-iodoanilino)-N-methylbutanamide

C11H15IN2O — CID 63891617

IUPAC4-(4-iodoanilino)-N-methylbutanamide
SMILESCNC(=O)CCCNc1ccc(I)cc1
InChIInChI=1S/C11H15IN2O/c1-13-11(15)3-2-8-14-10-6-4-9(12)5-7-10/h4-7,14H,2-3,8H2,1H3,(H,13,15)
InChIKeyYOGIGNJJRMASJK-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.23
Rot. Bonds5

About 4-(4-iodoanilino)-N-methylbutanamide

4-(4-iodoanilino)-N-methylbutanamide (PubChem CID 63891617) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is 4-(4-iodoanilino)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-iodoanilino)-N-methylbutanamide
PubChem CID63891617
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name4-(4-iodoanilino)-N-methylbutanamide
SMILESCNC(=O)CCCNc1ccc(I)cc1
InChIInChI=1S/C11H15IN2O/c1-13-11(15)3-2-8-14-10-6-4-9(12)5-7-10/h4-7,14H,2-3,8H2,1H3,(H,13,15)
InChIKeyYOGIGNJJRMASJK-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(difluoromethoxy)anilino]-N-methylbutanamide
CID 63892048
4-(4-iodophenyl)-N-methylbutanamide
CID 148600520
4-(2-iodoanilino)-N-methylbutanamide
CID 63891619
4-(3,4-dicyanoanilino)-N-methylbutanamide
CID 114001752
4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide
CID 81260425
3-(4-iodoanilino)propanoic acid
CID 28976553
3-(4-chloroanilino)-N-methylpropanamide
CID 10899951
4-[4-fluoro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63891626
4-(3,4-diethoxyanilino)-N-methylbutanamide
CID 63890112
4-[4-chloro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63892047
N-methyl-3-[4-(trifluoromethyl)anilino]propanamide
CID 62326575
2-[4-(butylamino)phenyl]-N-methylacetamide
CID 43714159

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodoanilino)-N-methylbutanamide?
The IUPAC name of 4-(4-iodoanilino)-N-methylbutanamide (CID 63891617) is 4-(4-iodoanilino)-N-methylbutanamide.
What is the SMILES notation for 4-(4-iodoanilino)-N-methylbutanamide?
The canonical SMILES for 4-(4-iodoanilino)-N-methylbutanamide is CNC(=O)CCCNc1ccc(I)cc1.
What is the InChIKey of 4-(4-iodoanilino)-N-methylbutanamide?
The InChIKey is YOGIGNJJRMASJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-13-11(15)3-2-8-14-10-6-4-9(12)5-7-10/h4-7,14H,2-3,8H2,1H3,(H,13,15).
What are the key properties of 4-(4-iodoanilino)-N-methylbutanamide?
4-(4-iodoanilino)-N-methylbutanamide has a molecular weight of 318.16 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodoanilino)-N-methylbutanamide is sourced from PubChem (CID 63891617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).