[4-(2-iodoethyl)phenyl]carbamic acid

C9H10INO2 — CID 66577892

IUPAC[4-(2-iodoethyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(CCI)cc1
InChIInChI=1S/C9H10INO2/c10-6-5-7-1-3-8(4-2-7)11-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyUAJMLJOHYLQIQT-UHFFFAOYSA-N
MW291.09 g/mol
LogP2.75
Rot. Bonds3

About [4-(2-iodoethyl)phenyl]carbamic acid

[4-(2-iodoethyl)phenyl]carbamic acid (PubChem CID 66577892) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is [4-(2-iodoethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(2-iodoethyl)phenyl]carbamic acid
PubChem CID66577892
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Name[4-(2-iodoethyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(CCI)cc1
InChIInChI=1S/C9H10INO2/c10-6-5-7-1-3-8(4-2-7)11-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyUAJMLJOHYLQIQT-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 52.75
H-Bond Donors ≤ 52
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

[4-(2-oxoethyl)phenyl]carbamic acid
CID 87359539
[4-(2-methylpropyl)phenyl]carbamic acid
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3-[4-(carboniodidoylamino)phenyl]propanoic acid
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[4-(3-iodoprop-1-ynyl)phenyl]carbamic acid
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N-[4-[(E)-6-iodohex-3-enyl]phenyl]acetamide
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[4-[[4-(phosphanyloxycarbonylamino)phenyl]methyl]phenyl]carbamic acid
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[4-(ethylamino)phenyl]carbamic acid
CID 122640243
[4-[(2-bromoacetyl)amino]phenyl]carbamic acid
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N,N'-bis(4-butylphenyl)oxamide
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Frequently Asked Questions

What is the IUPAC name of [4-(2-iodoethyl)phenyl]carbamic acid?
The IUPAC name of [4-(2-iodoethyl)phenyl]carbamic acid (CID 66577892) is [4-(2-iodoethyl)phenyl]carbamic acid.
What is the SMILES notation for [4-(2-iodoethyl)phenyl]carbamic acid?
The canonical SMILES for [4-(2-iodoethyl)phenyl]carbamic acid is O=C(O)Nc1ccc(CCI)cc1.
What is the InChIKey of [4-(2-iodoethyl)phenyl]carbamic acid?
The InChIKey is UAJMLJOHYLQIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO2/c10-6-5-7-1-3-8(4-2-7)11-9(12)13/h1-4,11H,5-6H2,(H,12,13).
What are the key properties of [4-(2-iodoethyl)phenyl]carbamic acid?
[4-(2-iodoethyl)phenyl]carbamic acid has a molecular weight of 291.09 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-iodoethyl)phenyl]carbamic acid is sourced from PubChem (CID 66577892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).