benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride

C20H19ClN2O2 — CID 76853740

IUPACbenzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride
SMILESCl.Nc1ccc(-c2cccc(NC(=O)OCc3ccccc3)c2)cc1
InChIInChI=1S/C20H18N2O2.ClH/c21-18-11-9-16(10-12-18)17-7-4-8-19(13-17)22-20(23)24-14-15-5-2-1-3-6-15;/h1-13H,14,21H2,(H,22,23);1H
InChIKeyZTPGIGBCBGOITA-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.11
Rot. Bonds4

About benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride

benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride (PubChem CID 76853740) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride
PubChem CID76853740
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Namebenzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride
SMILESCl.Nc1ccc(-c2cccc(NC(=O)OCc3ccccc3)c2)cc1
InChIInChI=1S/C20H18N2O2.ClH/c21-18-11-9-16(10-12-18)17-7-4-8-19(13-17)22-20(23)24-14-15-5-2-1-3-6-15;/h1-13H,14,21H2,(H,22,23);1H
InChIKeyZTPGIGBCBGOITA-UHFFFAOYSA-N
XLogP5.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.11
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-[3-amino-5-(3-aminophenyl)phenyl]carbamate
CID 68788391
(2S)-3-[4-[3-(carbamoylamino)phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 59901422
benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate
CID 68788358
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 110643709
(3-chlorophenyl)methyl N-(4-aminophenyl)carbamate
CID 65126577
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
(E)-3-[3-(phenylmethoxycarbonylamino)phenyl]prop-2-enoic acid
CID 115339094
methyl 2-[3-amino-2-fluoro-6-[3-(phenylmethoxycarbonylamino)phenyl]phenyl]acetate
CID 11729234
benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate
CID 53220686
(3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate
CID 10791831

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride?
The IUPAC name of benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride (CID 76853740) is benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride.
What is the SMILES notation for benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride?
The canonical SMILES for benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride is Cl.Nc1ccc(-c2cccc(NC(=O)OCc3ccccc3)c2)cc1.
What is the InChIKey of benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride?
The InChIKey is ZTPGIGBCBGOITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2.ClH/c21-18-11-9-16(10-12-18)17-7-4-8-19(13-17)22-20(23)24-14-15-5-2-1-3-6-15;/h1-13H,14,21H2,(H,22,23);1H.
What are the key properties of benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride?
benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride has a molecular weight of 354.84 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride is sourced from PubChem (CID 76853740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).