2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide

C14H20ClIN2O — CID 107471421

IUPAC2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C14H20ClIN2O/c1-14(2,3)7-9(8-17)13(19)18-12-5-4-10(16)6-11(12)15/h4-6,9H,7-8,17H2,1-3H3,(H,18,19)
InChIKeyLUQSXUNLODOXSS-UHFFFAOYSA-N
MW394.68 g/mol
LogP3.89
Rot. Bonds4

About 2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide (PubChem CID 107471421) has the molecular formula C14H20ClIN2O and a molecular weight of 394.68 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide
PubChem CID107471421
Molecular FormulaC14H20ClIN2O
Molecular Weight394.68 g/mol
Exact Mass394.03
IUPAC Name2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C14H20ClIN2O/c1-14(2,3)7-9(8-17)13(19)18-12-5-4-10(16)6-11(12)15/h4-6,9H,7-8,17H2,1-3H3,(H,18,19)
InChIKeyLUQSXUNLODOXSS-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.68
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide
CID 107471361
2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
CID 107470943
2-bromo-N-(2-chloro-4-iodophenyl)propanamide
CID 107903978
2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide
CID 43713313
4-[2-(aminomethyl)butanoylamino]-3-chlorobenzoic acid
CID 65228370
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
CID 79796935
2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide
CID 107471101
1-amino-3-(2-chloro-4-iodophenyl)urea
CID 107605938
2-carbamothioyl-N-(2-chloro-4-iodophenyl)pentanamide
CID 107605669
1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea
CID 47202224
2-[2-(aminomethyl)butanoylamino]-5-iodobenzoic acid
CID 65228642

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide (CID 107471421) is 2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide?
The InChIKey is LUQSXUNLODOXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClIN2O/c1-14(2,3)7-9(8-17)13(19)18-12-5-4-10(16)6-11(12)15/h4-6,9H,7-8,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide has a molecular weight of 394.68 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107471421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).