benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate

C16H15IN2O3 — CID 18930613

IUPACbenzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)Nc1ccccc1I
InChIInChI=1S/C16H15IN2O3/c17-13-8-4-5-9-14(13)19-15(20)10-18-16(21)22-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,21)(H,19,20)
InChIKeyRFQQHAZUMYUVDB-UHFFFAOYSA-N
MW410.21 g/mol
LogP3.16
Rot. Bonds5

About benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate

benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate (PubChem CID 18930613) has the molecular formula C16H15IN2O3 and a molecular weight of 410.21 g/mol. Its IUPAC name is benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate
PubChem CID18930613
Molecular FormulaC16H15IN2O3
Molecular Weight410.21 g/mol
Exact Mass410.01
IUPAC Namebenzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)Nc1ccccc1I
InChIInChI=1S/C16H15IN2O3/c17-13-8-4-5-9-14(13)19-15(20)10-18-16(21)22-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,21)(H,19,20)
InChIKeyRFQQHAZUMYUVDB-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.21
LogP ≤ 53.16
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

benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]carbamate
CID 60596320
2-acetamido-N-(2-iodophenyl)acetamide
CID 60635742
benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-[2-(5-tert-butyl-2-hydroxyanilino)-2-oxoethyl]carbamate
CID 60595823
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate
CID 11449782
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid
CID 135285198
benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
CID 10470827

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate (CID 18930613) is benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)Nc1ccccc1I.
What is the InChIKey of benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate?
The InChIKey is RFQQHAZUMYUVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O3/c17-13-8-4-5-9-14(13)19-15(20)10-18-16(21)22-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,21)(H,19,20).
What are the key properties of benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate?
benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate has a molecular weight of 410.21 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-iodoanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 18930613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).