2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide

C15H21ClINO2 — CID 70353714

IUPAC2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide
SMILESCCc1cccc(C)c1N(C(=O)CCl)C(CI)COC
InChIInChI=1S/C15H21ClINO2/c1-4-12-7-5-6-11(2)15(12)18(14(19)8-16)13(9-17)10-20-3/h5-7,13H,4,8-10H2,1-3H3
InChIKeyFFJVCISLJJAYHI-UHFFFAOYSA-N
MW409.70 g/mol
LogP3.58
Rot. Bonds7

About 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide

2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide (PubChem CID 70353714) has the molecular formula C15H21ClINO2 and a molecular weight of 409.70 g/mol. Its IUPAC name is 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide
PubChem CID70353714
Molecular FormulaC15H21ClINO2
Molecular Weight409.70 g/mol
Exact Mass409.03
IUPAC Name2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide
SMILESCCc1cccc(C)c1N(C(=O)CCl)C(CI)COC
InChIInChI=1S/C15H21ClINO2/c1-4-12-7-5-6-11(2)15(12)18(14(19)8-16)13(9-17)10-20-3/h5-7,13H,4,8-10H2,1-3H3
InChIKeyFFJVCISLJJAYHI-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.70
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 11831821
2-chloro-N-(2,6-dimethylphenyl)-N-(1-ethoxypentan-3-yl)acetamide
CID 67914778
2-chloro-N-(2,6-dimethylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 19855646
methyl (2R)-2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoate
CID 169090005
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
CID 12810720
2-chloro-N-(2,6-diethylphenyl)-N-[1-(3-methylphenyl)ethyl]acetamide
CID 71411423
2,2-dichloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 154731362
2-chloro-N-[2-(1-methoxypropan-2-yloxy)-6-methylphenyl]-N-methylacetamide
CID 12855575
2-[N-(1-ethoxyethyl)-2-ethyl-6-methylanilino]-2-oxoethanesulfonic acid
CID 102092432
2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide;2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione
CID 11657386
methyl 2-(2-ethyl-6-methyl-N-(2-phenylacetyl)anilino)propanoate
CID 71156862
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide
CID 154104180

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide (CID 70353714) is 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide is CCc1cccc(C)c1N(C(=O)CCl)C(CI)COC.
What is the InChIKey of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide?
The InChIKey is FFJVCISLJJAYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClINO2/c1-4-12-7-5-6-11(2)15(12)18(14(19)8-16)13(9-17)10-20-3/h5-7,13H,4,8-10H2,1-3H3.
What are the key properties of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide?
2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide has a molecular weight of 409.70 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-iodo-3-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 70353714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).