ethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate

C24H23FN2O3 — CID 143212421

IUPACethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate
SMILESC=Cc1ccc(C(=O)NC(CC#Cc2cc(F)ccc2N)C(=O)OCC)cc1C=C
InChIInChI=1S/C24H23FN2O3/c1-4-16-10-11-19(14-17(16)5-2)23(28)27-22(24(29)30-6-3)9-7-8-18-15-20(25)12-13-21(18)26/h4-5,10-15,22H,1-2,6,9,26H2,3H3,(H,27,28)
InChIKeyAKEUKNCHFIMYBN-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.80
Rot. Bonds7

About ethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate

ethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate (PubChem CID 143212421) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is ethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate.

Molecular Properties

Compound Nameethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate
PubChem CID143212421
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Nameethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate
SMILESC=Cc1ccc(C(=O)NC(CC#Cc2cc(F)ccc2N)C(=O)OCC)cc1C=C
InChIInChI=1S/C24H23FN2O3/c1-4-16-10-11-19(14-17(16)5-2)23(28)27-22(24(29)30-6-3)9-7-8-18-15-20(25)12-13-21(18)26/h4-5,10-15,22H,1-2,6,9,26H2,3H3,(H,27,28)
InChIKeyAKEUKNCHFIMYBN-UHFFFAOYSA-N
XLogP3.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-(2-amino-4-fluorophenyl)-2-(naphthalene-2-carbonylamino)pent-4-ynoate
CID 143212562
ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate
CID 122388095
diethyl (2S)-2-[(4-amino-3-methylbenzoyl)amino]pentanedioate
CID 14986741
4-ethenyl-3-fluoro-N-propan-2-ylbenzamide
CID 154814881
diethyl (2R)-2-[(4-amino-3-methoxybenzoyl)amino]pentanedioate
CID 67926864
ethyl 2-(2-amino-5-fluorophenyl)sulfanyl-2-fluoroacetate
CID 79367155
ethyl (2S)-2-benzamido-3-(4-ethenylphenyl)propanoate
CID 135022569
4-amino-N-hex-1-yn-3-yl-3-methylbenzamide
CID 114160341
ethyl (2S,3S)-3-benzamido-3-(4-fluorophenyl)-2-hydroxypropanoate
CID 163362371
ethyl 2-(4-fluoroanilino)-3-hydroxypropanoate
CID 104711228
ethyl 2-[[4-[4-[(1-ethoxy-1-oxo-3-sulfanylpropan-2-yl)carbamoyl]phenyl]benzoyl]amino]-3-sulfanylpropanoate
CID 58451974
ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 140996203

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate?
The IUPAC name of ethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate (CID 143212421) is ethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate.
What is the SMILES notation for ethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate?
The canonical SMILES for ethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate is C=Cc1ccc(C(=O)NC(CC#Cc2cc(F)ccc2N)C(=O)OCC)cc1C=C.
What is the InChIKey of ethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate?
The InChIKey is AKEUKNCHFIMYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-4-16-10-11-19(14-17(16)5-2)23(28)27-22(24(29)30-6-3)9-7-8-18-15-20(25)12-13-21(18)26/h4-5,10-15,22H,1-2,6,9,26H2,3H3,(H,27,28).
What are the key properties of ethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate?
ethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate has a molecular weight of 406.46 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-amino-5-fluorophenyl)-2-[[3,4-bis(ethenyl)benzoyl]amino]pent-4-ynoate is sourced from PubChem (CID 143212421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).