benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate

C14H11Cl2NO3 — CID 22048547

IUPACbenzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)OCc1ccccc1
InChIInChI=1S/C14H11Cl2NO3/c15-11-6-10(7-12(16)13(11)18)17-14(19)20-8-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,17,19)
InChIKeyHTUPVJMFLHZEOQ-UHFFFAOYSA-N
MW312.15 g/mol
LogP4.45
Rot. Bonds3

About benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate

benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate (PubChem CID 22048547) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
PubChem CID22048547
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Namebenzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)OCc1ccccc1
InChIInChI=1S/C14H11Cl2NO3/c15-11-6-10(7-12(16)13(11)18)17-14(19)20-8-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,17,19)
InChIKeyHTUPVJMFLHZEOQ-UHFFFAOYSA-N
XLogP4.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate
CID 53221594
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116
3-iodo-5-(phenylmethoxycarbonylamino)benzoic acid
CID 130535415
benzyl N-chlorocarbamate
CID 2755304
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
benzyl N-(4-isocyanatophenyl)carbamate
CID 169355606
3-chloro-5-[4-(phenylmethoxycarbonylamino)phenyl]benzoic acid
CID 53229105
benzyl N-[3-(2-hydroxypropoxymethyl)-5-(phenylmethoxycarbonylamino)phenyl]carbamate
CID 101435909
5-amino-2-chloro-4-(phenylmethoxycarbonylamino)benzoic acid
CID 20636250
methyl 3-(methoxymethyl)-5-(phenylmethoxycarbonylamino)benzoate
CID 67441922

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate?
The IUPAC name of benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate (CID 22048547) is benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate.
What is the SMILES notation for benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate?
The canonical SMILES for benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate is O=C(Nc1cc(Cl)c(O)c(Cl)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate?
The InChIKey is HTUPVJMFLHZEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c15-11-6-10(7-12(16)13(11)18)17-14(19)20-8-9-4-2-1-3-5-9/h1-7,18H,8H2,(H,17,19).
What are the key properties of benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate?
benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate has a molecular weight of 312.15 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate is sourced from PubChem (CID 22048547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).