benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate

C20H16ClNO3 — CID 53221594

IUPACbenzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate
SMILESO=C(Nc1ccc(-c2cc(O)cc(Cl)c2)cc1)OCc1ccccc1
InChIInChI=1S/C20H16ClNO3/c21-17-10-16(11-19(23)12-17)15-6-8-18(9-7-15)22-20(24)25-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,22,24)
InChIKeyQAWPKQNCDVCZHC-UHFFFAOYSA-N
MW353.81 g/mol
LogP5.46
Rot. Bonds4

About benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate

benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate (PubChem CID 53221594) has the molecular formula C20H16ClNO3 and a molecular weight of 353.81 g/mol. Its IUPAC name is benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate
PubChem CID53221594
Molecular FormulaC20H16ClNO3
Molecular Weight353.81 g/mol
Exact Mass353.08
IUPAC Namebenzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate
SMILESO=C(Nc1ccc(-c2cc(O)cc(Cl)c2)cc1)OCc1ccccc1
InChIInChI=1S/C20H16ClNO3/c21-17-10-16(11-19(23)12-17)15-6-8-18(9-7-15)22-20(24)25-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,22,24)
InChIKeyQAWPKQNCDVCZHC-UHFFFAOYSA-N
XLogP5.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.81
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[4-(phenylmethoxycarbonylamino)phenyl]benzoic acid
CID 53229105
benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
CID 53219805
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
CID 22048547
benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate
CID 53220686
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid
CID 53224753
benzyl N-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]carbamate
CID 22403841
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
(3-chlorophenyl)methyl N-(4-aminophenyl)carbamate
CID 65126577

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate (CID 53221594) is benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate is O=C(Nc1ccc(-c2cc(O)cc(Cl)c2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate?
The InChIKey is QAWPKQNCDVCZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3/c21-17-10-16(11-19(23)12-17)15-6-8-18(9-7-15)22-20(24)25-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,22,24).
What are the key properties of benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate?
benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate has a molecular weight of 353.81 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate is sourced from PubChem (CID 53221594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).