ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate

C10H10Cl2N2O2 — CID 6861622

IUPACethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2N2O2/c1-2-16-10(15)14-13-6-7-3-4-8(11)9(12)5-7/h3-6H,2H2,1H3,(H,14,15)/b13-6+
InChIKeyZMSPDPKSUPEFDH-AWNIVKPZSA-N
MW261.11 g/mol
LogP3.07
Rot. Bonds3

About ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate

ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate (PubChem CID 6861622) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate
PubChem CID6861622
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Nameethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H10Cl2N2O2/c1-2-16-10(15)14-13-6-7-3-4-8(11)9(12)5-7/h3-6H,2H2,1H3,(H,14,15)/b13-6+
InChIKeyZMSPDPKSUPEFDH-AWNIVKPZSA-N
XLogP3.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 53.07
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

ethyl N-[(Z)-(3,4-dichlorophenyl)methylideneamino]carbamate
CID 5399198
ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
CID 5401750
ethyl N-[(3-methylphenyl)methylideneamino]carbamate
CID 2692645
ethyl N-[(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 5007900
ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 6246560
ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
CID 6861610
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
ethyl 4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]benzoate
CID 90120945
4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]benzoic acid
CID 6861608
N,N'-bis[(3,4-dichlorophenyl)methylideneamino]hexanediamide
CID 4104627
ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 2590100
1-[(3,4-dichlorophenyl)methylideneamino]-3-ethylthiourea
CID 2423820

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate (CID 6861622) is ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate is CCOC(=O)N/N=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate?
The InChIKey is ZMSPDPKSUPEFDH-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c1-2-16-10(15)14-13-6-7-3-4-8(11)9(12)5-7/h3-6H,2H2,1H3,(H,14,15)/b13-6+.
What are the key properties of ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate?
ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate has a molecular weight of 261.11 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-(3,4-dichlorophenyl)methylideneamino]carbamate is sourced from PubChem (CID 6861622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).