(5-bromo-2-iodophenyl)methyl-ethylcarbamic acid

C10H11BrINO2 — CID 57473104

IUPAC(5-bromo-2-iodophenyl)methyl-ethylcarbamic acid
SMILESCCN(Cc1cc(Br)ccc1I)C(=O)O
InChIInChI=1S/C10H11BrINO2/c1-2-13(10(14)15)6-7-5-8(11)3-4-9(7)12/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyBIIVDEWKVQFSRL-UHFFFAOYSA-N
MW384.01 g/mol
LogP3.55
Rot. Bonds3

About (5-bromo-2-iodophenyl)methyl-ethylcarbamic acid

(5-bromo-2-iodophenyl)methyl-ethylcarbamic acid (PubChem CID 57473104) has the molecular formula C10H11BrINO2 and a molecular weight of 384.01 g/mol. Its IUPAC name is (5-bromo-2-iodophenyl)methyl-ethylcarbamic acid.

Molecular Properties

Compound Name(5-bromo-2-iodophenyl)methyl-ethylcarbamic acid
PubChem CID57473104
Molecular FormulaC10H11BrINO2
Molecular Weight384.01 g/mol
Exact Mass382.90
IUPAC Name(5-bromo-2-iodophenyl)methyl-ethylcarbamic acid
SMILESCCN(Cc1cc(Br)ccc1I)C(=O)O
InChIInChI=1S/C10H11BrINO2/c1-2-13(10(14)15)6-7-5-8(11)3-4-9(7)12/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyBIIVDEWKVQFSRL-UHFFFAOYSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.01
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(diethylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 55406882
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
CID 55594555
3-(4-bromo-2-ethylphenyl)-1,1-diethylurea
CID 81003513
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide
CID 120591123
1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 119764808
5-bromo-N-[(4-bromophenyl)methyl]-2-iodo-N-methylbenzamide
CID 103600040
3-[(4-bromo-2-ethylphenyl)carbamoyl-ethylamino]propanoic acid
CID 81289269
2-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]propanoic acid
CID 136529288
propyl 5-bromo-2-iodobenzoate
CID 78907791
1-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethylcyclohexane-1-carboxamide;hydrochloride
CID 119312671
methyl 2-[3-[4-bromo-2-[[ethyl(methoxycarbonyl)amino]methyl]phenoxy]-4-methoxyphenyl]acetate
CID 58288526
N-(5-bromo-2-iodophenyl)propanamide
CID 47076747

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-iodophenyl)methyl-ethylcarbamic acid?
The IUPAC name of (5-bromo-2-iodophenyl)methyl-ethylcarbamic acid (CID 57473104) is (5-bromo-2-iodophenyl)methyl-ethylcarbamic acid.
What is the SMILES notation for (5-bromo-2-iodophenyl)methyl-ethylcarbamic acid?
The canonical SMILES for (5-bromo-2-iodophenyl)methyl-ethylcarbamic acid is CCN(Cc1cc(Br)ccc1I)C(=O)O.
What is the InChIKey of (5-bromo-2-iodophenyl)methyl-ethylcarbamic acid?
The InChIKey is BIIVDEWKVQFSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrINO2/c1-2-13(10(14)15)6-7-5-8(11)3-4-9(7)12/h3-5H,2,6H2,1H3,(H,14,15).
What are the key properties of (5-bromo-2-iodophenyl)methyl-ethylcarbamic acid?
(5-bromo-2-iodophenyl)methyl-ethylcarbamic acid has a molecular weight of 384.01 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-iodophenyl)methyl-ethylcarbamic acid is sourced from PubChem (CID 57473104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).