[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate

C19H18FN3O2 — CID 19290228

IUPAC[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate
SMILESN/C(=N\OC(=O)CCCc1c[nH]c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c20-15-10-8-13(9-11-15)19(21)23-25-18(24)7-3-4-14-12-22-17-6-2-1-5-16(14)17/h1-2,5-6,8-12,22H,3-4,7H2,(H2,21,23)
InChIKeyUBXAHWOPWPJDJW-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.49
Rot. Bonds6

About [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate

[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate (PubChem CID 19290228) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate
PubChem CID19290228
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate
SMILESN/C(=N\OC(=O)CCCc1c[nH]c2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2/c20-15-10-8-13(9-11-15)19(21)23-25-18(24)7-3-4-14-12-22-17-6-2-1-5-16(14)17/h1-2,5-6,8-12,22H,3-4,7H2,(H2,21,23)
InChIKeyUBXAHWOPWPJDJW-UHFFFAOYSA-N
XLogP3.49
TPSA80.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[amino-[4-(2-amino-2-oxoethoxy)phenyl]methylidene]amino] 3-(1H-indol-3-yl)propanoate
CID 19298206
4-(1H-indol-3-yl)butanamide
CID 588715
[2-(4-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2146219
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
S-amino 4-(1H-indol-3-yl)butanethioate
CID 87254354
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7958788
3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate
CID 7169174
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
4-(1H-indol-3-yl)-1-phenylbutan-1-one
CID 101437539
(2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate
CID 174814617
(3-chlorophenyl)methyl 4-(1H-indol-3-yl)butanoate
CID 7541533
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate?
The IUPAC name of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate (CID 19290228) is [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate is N/C(=N\OC(=O)CCCc1c[nH]c2ccccc12)c1ccc(F)cc1.
What is the InChIKey of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate?
The InChIKey is UBXAHWOPWPJDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-15-10-8-13(9-11-15)19(21)23-25-18(24)7-3-4-14-12-22-17-6-2-1-5-16(14)17/h1-2,5-6,8-12,22H,3-4,7H2,(H2,21,23).
What are the key properties of [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate?
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate has a molecular weight of 339.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 19290228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).