(2-iodonaphthalen-1-yl)-methylcarbamic acid

C12H10INO2 — CID 70558210

IUPAC(2-iodonaphthalen-1-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1c(I)ccc2ccccc12
InChIInChI=1S/C12H10INO2/c1-14(12(15)16)11-9-5-3-2-4-8(9)6-7-10(11)13/h2-7H,1H3,(H,15,16)
InChIKeyLNSYXCZZSSWCBJ-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.56
Rot. Bonds1

About (2-iodonaphthalen-1-yl)-methylcarbamic acid

(2-iodonaphthalen-1-yl)-methylcarbamic acid (PubChem CID 70558210) has the molecular formula C12H10INO2 and a molecular weight of 327.12 g/mol. Its IUPAC name is (2-iodonaphthalen-1-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(2-iodonaphthalen-1-yl)-methylcarbamic acid
PubChem CID70558210
Molecular FormulaC12H10INO2
Molecular Weight327.12 g/mol
Exact Mass326.98
IUPAC Name(2-iodonaphthalen-1-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1c(I)ccc2ccccc12
InChIInChI=1S/C12H10INO2/c1-14(12(15)16)11-9-5-3-2-4-8(9)6-7-10(11)13/h2-7H,1H3,(H,15,16)
InChIKeyLNSYXCZZSSWCBJ-UHFFFAOYSA-N
XLogP3.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 53.56
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

N-(2-hydroxynaphthalen-1-yl)-N-methylbenzamide
CID 102142078
2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid
CID 22023715
[1-(2-carbamoylnaphthalen-1-yl)naphthalen-2-yl]-methylcarbamic acid
CID 67364579
acetic acid;chrysene
CID 175201446
1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
CID 11403549
methyl 2-[benzyl-[(2-iodonaphthalen-1-yl)methyl]amino]acetate
CID 102044855
tert-butyl 2-iodonaphthalene-1-carboxylate
CID 70878539
N-methyl-N-naphthalen-1-ylbenzamide
CID 47382605
[2-(hydroxymethyl)phenyl]-methylcarbamic acid
CID 18370050
N'-benzyl-N'-(2-methylnaphthalen-1-yl)oxamide
CID 166463262
1-(dimethylamino)naphthalene-2-diazonium
CID 88633495
2-iodo-N-methylnaphthalen-1-amine
CID 174703864

Frequently Asked Questions

What is the IUPAC name of (2-iodonaphthalen-1-yl)-methylcarbamic acid?
The IUPAC name of (2-iodonaphthalen-1-yl)-methylcarbamic acid (CID 70558210) is (2-iodonaphthalen-1-yl)-methylcarbamic acid.
What is the SMILES notation for (2-iodonaphthalen-1-yl)-methylcarbamic acid?
The canonical SMILES for (2-iodonaphthalen-1-yl)-methylcarbamic acid is CN(C(=O)O)c1c(I)ccc2ccccc12.
What is the InChIKey of (2-iodonaphthalen-1-yl)-methylcarbamic acid?
The InChIKey is LNSYXCZZSSWCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO2/c1-14(12(15)16)11-9-5-3-2-4-8(9)6-7-10(11)13/h2-7H,1H3,(H,15,16).
What are the key properties of (2-iodonaphthalen-1-yl)-methylcarbamic acid?
(2-iodonaphthalen-1-yl)-methylcarbamic acid has a molecular weight of 327.12 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodonaphthalen-1-yl)-methylcarbamic acid is sourced from PubChem (CID 70558210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).