benzyl N-[2-(2-aminophenyl)phenyl]carbamate

C20H18N2O2 — CID 68787776

IUPACbenzyl N-[2-(2-aminophenyl)phenyl]carbamate
SMILESNc1ccccc1-c1ccccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C20H18N2O2/c21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)22-20(23)24-14-15-8-2-1-3-9-15/h1-13H,14,21H2,(H,22,23)
InChIKeyCIISBNCFLMOKSO-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.68
Rot. Bonds4

About benzyl N-[2-(2-aminophenyl)phenyl]carbamate

benzyl N-[2-(2-aminophenyl)phenyl]carbamate (PubChem CID 68787776) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is benzyl N-[2-(2-aminophenyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(2-aminophenyl)phenyl]carbamate
PubChem CID68787776
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Namebenzyl N-[2-(2-aminophenyl)phenyl]carbamate
SMILESNc1ccccc1-c1ccccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C20H18N2O2/c21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)22-20(23)24-14-15-8-2-1-3-9-15/h1-13H,14,21H2,(H,22,23)
InChIKeyCIISBNCFLMOKSO-UHFFFAOYSA-N
XLogP4.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate
CID 68788358
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
CID 141316548
benzyl N-(carbamoylamino)carbamate
CID 141421180
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
3-[2-hydroxy-3-(phenylmethoxycarbonylamino)phenyl]propanoic acid
CID 54120837
methyl 3-amino-4-(phenylmethoxycarbonylamino)benzoate
CID 146261827
2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid
CID 139948436
5-amino-2-chloro-4-(phenylmethoxycarbonylamino)benzoic acid
CID 20636250

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(2-aminophenyl)phenyl]carbamate?
The IUPAC name of benzyl N-[2-(2-aminophenyl)phenyl]carbamate (CID 68787776) is benzyl N-[2-(2-aminophenyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[2-(2-aminophenyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[2-(2-aminophenyl)phenyl]carbamate is Nc1ccccc1-c1ccccc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(2-aminophenyl)phenyl]carbamate?
The InChIKey is CIISBNCFLMOKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c21-18-12-6-4-10-16(18)17-11-5-7-13-19(17)22-20(23)24-14-15-8-2-1-3-9-15/h1-13H,14,21H2,(H,22,23).
What are the key properties of benzyl N-[2-(2-aminophenyl)phenyl]carbamate?
benzyl N-[2-(2-aminophenyl)phenyl]carbamate has a molecular weight of 318.38 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(2-aminophenyl)phenyl]carbamate is sourced from PubChem (CID 68787776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).