2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide

C14H19ClINO — CID 71415983

IUPAC2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(I)cc(C(C)C)c1NC(=O)CCl
InChIInChI=1S/C14H19ClINO/c1-8(2)11-5-10(16)6-12(9(3)4)14(11)17-13(18)7-15/h5-6,8-9H,7H2,1-4H3,(H,17,18)
InChIKeyJRVCPQNVHLJARY-UHFFFAOYSA-N
MW379.67 g/mol
LogP4.72
Rot. Bonds4

About 2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide

2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 71415983) has the molecular formula C14H19ClINO and a molecular weight of 379.67 g/mol. Its IUPAC name is 2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID71415983
Molecular FormulaC14H19ClINO
Molecular Weight379.67 g/mol
Exact Mass379.02
IUPAC Name2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cc(I)cc(C(C)C)c1NC(=O)CCl
InChIInChI=1S/C14H19ClINO/c1-8(2)11-5-10(16)6-12(9(3)4)14(11)17-13(18)7-15/h5-6,8-9H,7H2,1-4H3,(H,17,18)
InChIKeyJRVCPQNVHLJARY-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.67
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide
CID 155581097
2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide
CID 166414805
2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide
CID 166429832
3-chloro-2-methyl-N-(2,4,6-triiodophenyl)propanamide
CID 63463204
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
N-[4-[[3-butan-2-yl-4-(3-methylbutanoylamino)-5-propan-2-ylphenyl]methyl]-2,6-di(propan-2-yl)phenyl]-3-methylbutanamide
CID 163847325
2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)acetamide
CID 126993024
N-[2,6-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 109011721
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
1-[2,6-di(propan-2-yl)phenyl]-3-[(3-iodophenyl)methyl]urea
CID 3677795

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide (CID 71415983) is 2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cc(I)cc(C(C)C)c1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is JRVCPQNVHLJARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClINO/c1-8(2)11-5-10(16)6-12(9(3)4)14(11)17-13(18)7-15/h5-6,8-9H,7H2,1-4H3,(H,17,18).
What are the key properties of 2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide?
2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 379.67 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 71415983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).