N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide

C14H15IN2O — CID 168801099

IUPACN-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide
SMILESCC(=O)NC(I)CNc1cccc2ccccc12
InChIInChI=1S/C14H15IN2O/c1-10(18)17-14(15)9-16-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14,16H,9H2,1H3,(H,17,18)
InChIKeyWIZOGOSGPKOHKM-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.15
Rot. Bonds4

About N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide

N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide (PubChem CID 168801099) has the molecular formula C14H15IN2O and a molecular weight of 354.19 g/mol. Its IUPAC name is N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide
PubChem CID168801099
Molecular FormulaC14H15IN2O
Molecular Weight354.19 g/mol
Exact Mass354.02
IUPAC NameN-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide
SMILESCC(=O)NC(I)CNc1cccc2ccccc12
InChIInChI=1S/C14H15IN2O/c1-10(18)17-14(15)9-16-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14,16H,9H2,1H3,(H,17,18)
InChIKeyWIZOGOSGPKOHKM-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-iodo-4-(naphthalen-1-ylamino)butan-2-one
CID 174493300
2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid
CID 115255971
2,2-dimethyl-3-(naphthalen-1-ylamino)propanoic acid
CID 79629217
2-acetamido-N-naphthalen-1-yl-3-sulfanylpropanamide
CID 107768918
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
3,3,3-trifluoro-2-[(naphthalen-1-ylamino)methyl]propanoic acid
CID 103231545
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-methyl-3-(naphthalen-1-ylamino)propanenitrile
CID 43245410
2-methyl-4-(naphthalen-1-ylamino)butanoic acid
CID 115220580
1-(2,2-dimethyl-4-oxopentan-3-yl)-3-naphthalen-1-ylurea;ethane
CID 145466012
2-iodo-1-naphthalen-1-ylbutane-1,3-dione
CID 165350066
2-methyl-1-(naphthalen-1-ylamino)propan-2-ol
CID 60884850

Frequently Asked Questions

What is the IUPAC name of N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide?
The IUPAC name of N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide (CID 168801099) is N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide.
What is the SMILES notation for N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide?
The canonical SMILES for N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide is CC(=O)NC(I)CNc1cccc2ccccc12.
What is the InChIKey of N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide?
The InChIKey is WIZOGOSGPKOHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15IN2O/c1-10(18)17-14(15)9-16-13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14,16H,9H2,1H3,(H,17,18).
What are the key properties of N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide?
N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide has a molecular weight of 354.19 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-iodo-2-(naphthalen-1-ylamino)ethyl]acetamide is sourced from PubChem (CID 168801099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).