methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate

C18H16FN3O2 — CID 5420937

IUPACmethyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C18H16FN3O2/c1-24-18(23)21-20-10-14-12-22(17-5-3-2-4-16(14)17)11-13-6-8-15(19)9-7-13/h2-10,12H,11H2,1H3,(H,21,23)/b20-10-
InChIKeyODPLGFLEROIOKA-JMIUGGIZSA-N
MW325.34 g/mol
LogP3.52
Rot. Bonds4

About methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate

methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate (PubChem CID 5420937) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
PubChem CID5420937
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Namemethyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C18H16FN3O2/c1-24-18(23)21-20-10-14-12-22(17-5-3-2-4-16(14)17)11-13-6-8-15(19)9-7-13/h2-10,12H,11H2,1H3,(H,21,23)/b20-10-
InChIKeyODPLGFLEROIOKA-JMIUGGIZSA-N
XLogP3.52
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.52
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

N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
CID 19060958
methyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
CID 6864443
4-amino-N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 24818544
N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 6144806
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 1275740
1-amino-3-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]thiourea
CID 86579605
2-(2,4-dimethylphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 92657719
N-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]hydroxylamine
CID 3972019
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245785
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126150640
4-cyano-2-fluoro-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 5452926
(4R)-4-(4-ethoxyphenyl)-N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-4-hydroxybutanamide
CID 96874189

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate (CID 5420937) is methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate is COC(=O)N/N=C\c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate?
The InChIKey is ODPLGFLEROIOKA-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-18(23)21-20-10-14-12-22(17-5-3-2-4-16(14)17)11-13-6-8-15(19)9-7-13/h2-10,12H,11H2,1H3,(H,21,23)/b20-10-.
What are the key properties of methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate?
methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate has a molecular weight of 325.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]carbamate is sourced from PubChem (CID 5420937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).