ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate

C19H18ClN3O2 — CID 6880922

IUPACethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C19H18ClN3O2/c1-2-25-19(24)22-21-11-15-13-23(18-10-6-4-8-16(15)18)12-14-7-3-5-9-17(14)20/h3-11,13H,2,12H2,1H3,(H,22,24)/b21-11+
InChIKeyHBYOZLCOLIUHBF-SRZZPIQSSA-N
MW355.83 g/mol
LogP4.42
Rot. Bonds5

About ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate

ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate (PubChem CID 6880922) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
PubChem CID6880922
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Nameethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C19H18ClN3O2/c1-2-25-19(24)22-21-11-15-13-23(18-10-6-4-8-16(15)18)12-14-7-3-5-9-17(14)20/h3-11,13H,2,12H2,1H3,(H,22,24)/b21-11+
InChIKeyHBYOZLCOLIUHBF-SRZZPIQSSA-N
XLogP4.42
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

methyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
CID 6864443
[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]urea
CID 3801394
N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143817
2-anilino-N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126385953
ethyl N-[(1S)-3-[(2Z)-2-[[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]-3-oxo-1-phenylpropyl]carbamate
CID 126003342
4-[2-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylidene]hydrazinyl]benzoic acid
CID 3701627
trans-(1S,2S)-N-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6577818
N-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 1277223
ethyl N-[(E)-[1-[2-(3,5-dimethylphenoxy)ethyl]indol-3-yl]methylideneamino]carbamate
CID 6883719
2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126373063
N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-ethoxybenzamide
CID 17246263
[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea
CID 126388460

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate (CID 6880922) is ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate is CCOC(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12.
What is the InChIKey of ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate?
The InChIKey is HBYOZLCOLIUHBF-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-2-25-19(24)22-21-11-15-13-23(18-10-6-4-8-16(15)18)12-14-7-3-5-9-17(14)20/h3-11,13H,2,12H2,1H3,(H,22,24)/b21-11+.
What are the key properties of ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate?
ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate has a molecular weight of 355.83 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate is sourced from PubChem (CID 6880922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).