benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate

C16H15ClN2O2 — CID 146162370

IUPACbenzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate
SMILESC/C(=N\NC(=O)OCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2/c1-12(14-7-9-15(17)10-8-14)18-19-16(20)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)/b18-12+
InChIKeyRLARIWFULXGKBC-LDADJPATSA-N
MW302.76 g/mol
LogP3.99
Rot. Bonds4

About benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate

benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate (PubChem CID 146162370) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate.

Molecular Properties

Compound Namebenzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate
PubChem CID146162370
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Namebenzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate
SMILESC/C(=N\NC(=O)OCc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2O2/c1-12(14-7-9-15(17)10-8-14)18-19-16(20)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)/b18-12+
InChIKeyRLARIWFULXGKBC-LDADJPATSA-N
XLogP3.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(E)-1-(4-bromophenyl)ethylideneamino]carbamate
CID 146162369
N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3144325
N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
ethyl N-[1-(4-hydroxyphenyl)ethylideneamino]carbamate
CID 2739255
(2R)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6948447
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
benzyl N-[(S)-[(4-chlorobenzoyl)amino]-phenylmethyl]carbamate
CID 102450807
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
ethyl N-[[1-(4-chlorophenyl)-2-hydroxyethylidene]amino]carbamate
CID 86662431
benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate
CID 173414355

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate?
The IUPAC name of benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate (CID 146162370) is benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate.
What is the SMILES notation for benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate?
The canonical SMILES for benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate is C/C(=N\NC(=O)OCc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate?
The InChIKey is RLARIWFULXGKBC-LDADJPATSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-12(14-7-9-15(17)10-8-14)18-19-16(20)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)/b18-12+.
What are the key properties of benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate?
benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate has a molecular weight of 302.76 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate is sourced from PubChem (CID 146162370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).