3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide

C13H18ClIN2O — CID 114259751

IUPAC3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1cc(I)ccc1Cl
InChIInChI=1S/C13H18ClIN2O/c1-12(2,13(3,4)16)11(18)17-10-7-8(15)5-6-9(10)14/h5-7H,16H2,1-4H3,(H,17,18)
InChIKeyQLJUBQBSXIZGPF-UHFFFAOYSA-N
MW380.66 g/mol
LogP3.65
Rot. Bonds3

About 3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide

3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide (PubChem CID 114259751) has the molecular formula C13H18ClIN2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide
PubChem CID114259751
Molecular FormulaC13H18ClIN2O
Molecular Weight380.66 g/mol
Exact Mass380.02
IUPAC Name3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1cc(I)ccc1Cl
InChIInChI=1S/C13H18ClIN2O/c1-12(2,13(3,4)16)11(18)17-10-7-8(15)5-6-9(10)14/h5-7H,16H2,1-4H3,(H,17,18)
InChIKeyQLJUBQBSXIZGPF-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 53.65
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

N-(2-chloro-5-iodophenyl)-2-(ethylamino)-2-methylpropanamide
CID 114259790
3-amino-N-(2-chloro-4-fluorophenyl)-2,2,3-trimethylbutanamide
CID 65264639
(2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide
CID 130498897
3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide
CID 65264488
2-amino-N-(2-chloro-4-iodophenyl)-2-methylbutanamide
CID 79796935
3-amino-2,2,3-trimethyl-N-(2,4,6-trichlorophenyl)butanamide
CID 65264588
3-[(2-amino-2-methylpropanoyl)amino]-4-chlorobenzoic acid
CID 61267024
3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 61265397
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
methyl 2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-4-chlorobenzoate
CID 65264248
2-amino-N-(2-bromo-5-iodophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 114259830
3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide
CID 65264934

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide (CID 114259751) is 3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)Nc1cc(I)ccc1Cl.
What is the InChIKey of 3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide?
The InChIKey is QLJUBQBSXIZGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClIN2O/c1-12(2,13(3,4)16)11(18)17-10-7-8(15)5-6-9(10)14/h5-7H,16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide?
3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide has a molecular weight of 380.66 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide is sourced from PubChem (CID 114259751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).