phenyl N-(4-amino-3-methanimidoylphenyl)carbamate

C14H13N3O2 — CID 167447123

IUPACphenyl N-(4-amino-3-methanimidoylphenyl)carbamate
SMILES[H]/N=C/c1cc(NC(=O)Oc2ccccc2)ccc1N
InChIInChI=1S/C14H13N3O2/c15-9-10-8-11(6-7-13(10)16)17-14(18)19-12-4-2-1-3-5-12/h1-9,15H,16H2,(H,17,18)/b15-9+
InChIKeyGLEGJQICMHPVSC-OQLLNIDSSA-N
MW255.28 g/mol
LogP2.88
Rot. Bonds3

About phenyl N-(4-amino-3-methanimidoylphenyl)carbamate

phenyl N-(4-amino-3-methanimidoylphenyl)carbamate (PubChem CID 167447123) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is phenyl N-(4-amino-3-methanimidoylphenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-amino-3-methanimidoylphenyl)carbamate
PubChem CID167447123
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Namephenyl N-(4-amino-3-methanimidoylphenyl)carbamate
SMILES[H]/N=C/c1cc(NC(=O)Oc2ccccc2)ccc1N
InChIInChI=1S/C14H13N3O2/c15-9-10-8-11(6-7-13(10)16)17-14(18)19-12-4-2-1-3-5-12/h1-9,15H,16H2,(H,17,18)/b15-9+
InChIKeyGLEGJQICMHPVSC-OQLLNIDSSA-N
XLogP2.88
TPSA88.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-methanimidoylphenyl)-4-tert-butylbenzamide
CID 142973995
N-(4-amino-3-methanimidoylphenyl)-6-methyl-2-oxo-4-(4-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 88885706
4-amino-N-(4-amino-3-methanimidoylphenyl)-2-benzylsulfanylbutanamide
CID 142270818
phenyl N-(3-hydroxy-4-methoxyphenyl)carbamate
CID 60637496
phenyl N-(1,3-dioxoisoindol-5-yl)carbamate
CID 60669008
methyl 2-[(E)-2-[2-methoxysulfonyl-4-(phenoxycarbonylamino)phenyl]ethenyl]-5-(phenoxycarbonylamino)benzenesulfonate
CID 171353983
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
phenyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 61215909
phenyl N-(4-iodophenyl)carbamate
CID 73442286
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
ethane;phenyl N-(4-bromo-3-methylphenyl)carbamate
CID 178164704
phenyl N-(3-methyl-4-phenoxyphenyl)carbamate
CID 139442804

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-amino-3-methanimidoylphenyl)carbamate?
The IUPAC name of phenyl N-(4-amino-3-methanimidoylphenyl)carbamate (CID 167447123) is phenyl N-(4-amino-3-methanimidoylphenyl)carbamate.
What is the SMILES notation for phenyl N-(4-amino-3-methanimidoylphenyl)carbamate?
The canonical SMILES for phenyl N-(4-amino-3-methanimidoylphenyl)carbamate is [H]/N=C/c1cc(NC(=O)Oc2ccccc2)ccc1N.
What is the InChIKey of phenyl N-(4-amino-3-methanimidoylphenyl)carbamate?
The InChIKey is GLEGJQICMHPVSC-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-9-10-8-11(6-7-13(10)16)17-14(18)19-12-4-2-1-3-5-12/h1-9,15H,16H2,(H,17,18)/b15-9+.
What are the key properties of phenyl N-(4-amino-3-methanimidoylphenyl)carbamate?
phenyl N-(4-amino-3-methanimidoylphenyl)carbamate has a molecular weight of 255.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-amino-3-methanimidoylphenyl)carbamate is sourced from PubChem (CID 167447123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).