methyl N-[(3-chlorophenyl)methylideneamino]carbamate

C9H9ClN2O2 — CID 909415

IUPACmethyl N-[(3-chlorophenyl)methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1cccc(Cl)c1
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)12-11-6-7-3-2-4-8(10)5-7/h2-6H,1H3,(H,12,13)
InChIKeyHBAUFOFVQFSBPC-UHFFFAOYSA-N
MW212.64 g/mol
LogP2.03
Rot. Bonds2

About methyl N-[(3-chlorophenyl)methylideneamino]carbamate

methyl N-[(3-chlorophenyl)methylideneamino]carbamate (PubChem CID 909415) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is methyl N-[(3-chlorophenyl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(3-chlorophenyl)methylideneamino]carbamate
PubChem CID909415
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Namemethyl N-[(3-chlorophenyl)methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1cccc(Cl)c1
InChIInChI=1S/C9H9ClN2O2/c1-14-9(13)12-11-6-7-3-2-4-8(10)5-7/h2-6H,1H3,(H,12,13)
InChIKeyHBAUFOFVQFSBPC-UHFFFAOYSA-N
XLogP2.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 52.03
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

N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
methyl N-[(Z)-(4-chlorophenyl)methylideneamino]carbamate
CID 5417418
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
(E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 126063270
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5393352
[3-[(Z)-(methoxycarbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 6143334
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
CID 171981138
N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 71537752
methyl N-(naphthalen-2-ylmethylideneamino)carbamate
CID 909426
N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
CID 45054960
N-[(3-chlorophenyl)methylideneamino]hexadecanamide
CID 75087758

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3-chlorophenyl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(3-chlorophenyl)methylideneamino]carbamate (CID 909415) is methyl N-[(3-chlorophenyl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(3-chlorophenyl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(3-chlorophenyl)methylideneamino]carbamate is COC(=O)NN=Cc1cccc(Cl)c1.
What is the InChIKey of methyl N-[(3-chlorophenyl)methylideneamino]carbamate?
The InChIKey is HBAUFOFVQFSBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-14-9(13)12-11-6-7-3-2-4-8(10)5-7/h2-6H,1H3,(H,12,13).
What are the key properties of methyl N-[(3-chlorophenyl)methylideneamino]carbamate?
methyl N-[(3-chlorophenyl)methylideneamino]carbamate has a molecular weight of 212.64 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3-chlorophenyl)methylideneamino]carbamate is sourced from PubChem (CID 909415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).