benzyl N-[4-(chlorooxymethyl)phenyl]carbamate

C15H14ClNO3 — CID 70641351

IUPACbenzyl N-[4-(chlorooxymethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(COCl)cc1)OCc1ccccc1
InChIInChI=1S/C15H14ClNO3/c16-20-11-13-6-8-14(9-7-13)17-15(18)19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyMKSKSXLLTDTHCO-UHFFFAOYSA-N
MW291.73 g/mol
LogP4.11
Rot. Bonds5

About benzyl N-[4-(chlorooxymethyl)phenyl]carbamate

benzyl N-[4-(chlorooxymethyl)phenyl]carbamate (PubChem CID 70641351) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is benzyl N-[4-(chlorooxymethyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(chlorooxymethyl)phenyl]carbamate
PubChem CID70641351
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Namebenzyl N-[4-(chlorooxymethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(COCl)cc1)OCc1ccccc1
InChIInChI=1S/C15H14ClNO3/c16-20-11-13-6-8-14(9-7-13)17-15(18)19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)
InChIKeyMKSKSXLLTDTHCO-UHFFFAOYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-[4-(chlorooxymethyl)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
molecular hydrogen;[4-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 161029288
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
benzyl N-(4-prop-2-enoxyphenyl)carbamate
CID 4952532
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-(4-isocyanatophenyl)carbamate
CID 169355606
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116
benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
CID 22048547
benzyl N-[4-[2-(2,2-dimethylpropanoylamino)-2-oxoethyl]phenyl]carbamate
CID 67901820
benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate
CID 53221594

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(chlorooxymethyl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(chlorooxymethyl)phenyl]carbamate (CID 70641351) is benzyl N-[4-(chlorooxymethyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(chlorooxymethyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(chlorooxymethyl)phenyl]carbamate is O=C(Nc1ccc(COCl)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(chlorooxymethyl)phenyl]carbamate?
The InChIKey is MKSKSXLLTDTHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-20-11-13-6-8-14(9-7-13)17-15(18)19-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of benzyl N-[4-(chlorooxymethyl)phenyl]carbamate?
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate has a molecular weight of 291.73 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(chlorooxymethyl)phenyl]carbamate is sourced from PubChem (CID 70641351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).