[3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate

C20H21NO2 — CID 7011642

IUPAC[3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1cccc([C@H]2C[C@@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C20H21NO2/c22-20(21-17-6-2-1-3-7-17)23-18-8-4-5-15(13-18)19-12-14-9-10-16(19)11-14/h1-8,13-14,16,19H,9-12H2,(H,21,22)/t14-,16-,19-/m1/s1
InChIKeyFCWHDSZGWRJEIK-IDHHARJASA-N
MW307.39 g/mol
LogP5.20
Rot. Bonds3

About [3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate

[3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate (PubChem CID 7011642) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is [3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate.

Molecular Properties

Compound Name[3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate
PubChem CID7011642
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name[3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1cccc([C@H]2C[C@@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C20H21NO2/c22-20(21-17-6-2-1-3-7-17)23-18-8-4-5-15(13-18)19-12-14-9-10-16(19)11-14/h1-8,13-14,16,19H,9-12H2,(H,21,22)/t14-,16-,19-/m1/s1
InChIKeyFCWHDSZGWRJEIK-IDHHARJASA-N
XLogP5.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.39
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate with MolForge

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Related Compounds

[4-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-methoxyphenyl] N-phenylcarbamate
CID 11911613
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
phenyl N-[3-(1-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]carbamate
CID 110715408
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate
CID 98115390
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
phenyl N-(4-cyclohexylphenyl)carbamate
CID 176960399
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762
phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate
CID 110425242
[4-[(1R,2S,4S,5R)-5,6,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate
CID 7688468
phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98080564
phenyl (1S,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 170698854
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229

Frequently Asked Questions

What is the IUPAC name of [3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate?
The IUPAC name of [3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate (CID 7011642) is [3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate.
What is the SMILES notation for [3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate?
The canonical SMILES for [3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate is O=C(Nc1ccccc1)Oc1cccc([C@H]2C[C@@H]3CC[C@@H]2C3)c1.
What is the InChIKey of [3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate?
The InChIKey is FCWHDSZGWRJEIK-IDHHARJASA-N. The full InChI is InChI=1S/C20H21NO2/c22-20(21-17-6-2-1-3-7-17)23-18-8-4-5-15(13-18)19-12-14-9-10-16(19)11-14/h1-8,13-14,16,19H,9-12H2,(H,21,22)/t14-,16-,19-/m1/s1.
What are the key properties of [3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate?
[3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate has a molecular weight of 307.39 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]phenyl] N-phenylcarbamate is sourced from PubChem (CID 7011642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).