methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate

C16H17IN2O2 — CID 43787990

IUPACmethyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(C)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H17IN2O2/c1-11(12-3-5-13(17)6-4-12)18-14-7-9-15(10-8-14)19-16(20)21-2/h3-11,18H,1-2H3,(H,19,20)
InChIKeyGECKGWYBQLAXTO-UHFFFAOYSA-N
MW396.23 g/mol
LogP4.64
Rot. Bonds4

About methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate

methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate (PubChem CID 43787990) has the molecular formula C16H17IN2O2 and a molecular weight of 396.23 g/mol. Its IUPAC name is methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate
PubChem CID43787990
Molecular FormulaC16H17IN2O2
Molecular Weight396.23 g/mol
Exact Mass396.03
IUPAC Namemethyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(C)c2ccc(I)cc2)cc1
InChIInChI=1S/C16H17IN2O2/c1-11(12-3-5-13(17)6-4-12)18-14-7-9-15(10-8-14)19-16(20)21-2/h3-11,18H,1-2H3,(H,19,20)
InChIKeyGECKGWYBQLAXTO-UHFFFAOYSA-N
XLogP4.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-4-iodoaniline
CID 43088233
methyl 2-chloro-5-[1-(4-iodophenyl)ethylamino]benzoate
CID 43778955
4-iodo-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43124343
methyl N-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 43730320
N-[3-[1-(4-iodophenyl)ethylamino]phenyl]acetamide
CID 43761396
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216
N-[1-(4-iodophenyl)ethyl]-3,4-dimethoxyaniline
CID 43759998
methyl N-[4-[1-(2-bromophenyl)ethylamino]phenyl]carbamate
CID 43730312
tert-butyl N-[4-[1-(3,5-difluorophenyl)ethylamino]phenyl]carbamate
CID 113354871
methyl N-[4-(2-chloropropanoylamino)phenyl]carbamate
CID 43701229
methyl N-[4-(1-ethylsulfonylpropan-2-ylamino)phenyl]carbamate
CID 115918902
methyl N-[4-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethoxy]phenyl]carbamate
CID 60522763

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate (CID 43787990) is methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate is COC(=O)Nc1ccc(NC(C)c2ccc(I)cc2)cc1.
What is the InChIKey of methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate?
The InChIKey is GECKGWYBQLAXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O2/c1-11(12-3-5-13(17)6-4-12)18-14-7-9-15(10-8-14)19-16(20)21-2/h3-11,18H,1-2H3,(H,19,20).
What are the key properties of methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate?
methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate has a molecular weight of 396.23 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[1-(4-iodophenyl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 43787990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).