benzyl N-(3-phenylphenyl)carbamate

C20H17NO2 — CID 127041070

IUPACbenzyl N-(3-phenylphenyl)carbamate
SMILESO=C(Nc1cccc(-c2ccccc2)c1)OCc1ccccc1
InChIInChI=1S/C20H17NO2/c22-20(23-15-16-8-3-1-4-9-16)21-19-13-7-12-18(14-19)17-10-5-2-6-11-17/h1-14H,15H2,(H,21,22)
InChIKeyRPPGWXWYQSUULD-UHFFFAOYSA-N
MW303.36 g/mol
LogP5.10
Rot. Bonds4

About benzyl N-(3-phenylphenyl)carbamate

benzyl N-(3-phenylphenyl)carbamate (PubChem CID 127041070) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is benzyl N-(3-phenylphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-phenylphenyl)carbamate
PubChem CID127041070
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Namebenzyl N-(3-phenylphenyl)carbamate
SMILESO=C(Nc1cccc(-c2ccccc2)c1)OCc1ccccc1
InChIInChI=1S/C20H17NO2/c22-20(23-15-16-8-3-1-4-9-16)21-19-13-7-12-18(14-19)17-10-5-2-6-11-17/h1-14H,15H2,(H,21,22)
InChIKeyRPPGWXWYQSUULD-UHFFFAOYSA-N
XLogP5.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.36
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate
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3-Phenylpropyl phenylcarbamate
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Mls002608128
CID 236425
Biphenyl-3-ylcarbamic Acid Biphenyl-3-yl Ester
CID 44585895
Cyclohexyl biphenyl-4-ylcarbamate
CID 45272494
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Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-phenylphenyl)carbamate?
The IUPAC name of benzyl N-(3-phenylphenyl)carbamate (CID 127041070) is benzyl N-(3-phenylphenyl)carbamate.
What is the SMILES notation for benzyl N-(3-phenylphenyl)carbamate?
The canonical SMILES for benzyl N-(3-phenylphenyl)carbamate is O=C(Nc1cccc(-c2ccccc2)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-phenylphenyl)carbamate?
The InChIKey is RPPGWXWYQSUULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c22-20(23-15-16-8-3-1-4-9-16)21-19-13-7-12-18(14-19)17-10-5-2-6-11-17/h1-14H,15H2,(H,21,22).
What are the key properties of benzyl N-(3-phenylphenyl)carbamate?
benzyl N-(3-phenylphenyl)carbamate has a molecular weight of 303.36 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-phenylphenyl)carbamate is sourced from PubChem (CID 127041070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).