(E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide

C18H18ClFN4O3 — CID 24989367

IUPAC(E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cnc(NCC(=O)NCCc2ccc(F)cc2)c(Cl)c1)NO
InChIInChI=1S/C18H18ClFN4O3/c19-15-9-13(3-6-16(25)24-27)10-22-18(15)23-11-17(26)21-8-7-12-1-4-14(20)5-2-12/h1-6,9-10,27H,7-8,11H2,(H,21,26)(H,22,23)(H,24,25)/b6-3+
InChIKeyDEEQAHQVBUNBKB-ZZXKWVIFSA-N
MW392.82 g/mol
LogP2.16
Rot. Bonds8

About (E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide

(E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide (PubChem CID 24989367) has the molecular formula C18H18ClFN4O3 and a molecular weight of 392.82 g/mol. Its IUPAC name is (E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
PubChem CID24989367
Molecular FormulaC18H18ClFN4O3
Molecular Weight392.82 g/mol
Exact Mass392.11
IUPAC Name(E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1cnc(NCC(=O)NCCc2ccc(F)cc2)c(Cl)c1)NO
InChIInChI=1S/C18H18ClFN4O3/c19-15-9-13(3-6-16(25)24-27)10-22-18(15)23-11-17(26)21-8-7-12-1-4-14(20)5-2-12/h1-6,9-10,27H,7-8,11H2,(H,21,26)(H,22,23)(H,24,25)/b6-3+
InChIKeyDEEQAHQVBUNBKB-ZZXKWVIFSA-N
XLogP2.16
TPSA103.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide (CID 24989367) is (E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1cnc(NCC(=O)NCCc2ccc(F)cc2)c(Cl)c1)NO.
What is the InChIKey of (E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
The InChIKey is DEEQAHQVBUNBKB-ZZXKWVIFSA-N. The full InChI is InChI=1S/C18H18ClFN4O3/c19-15-9-13(3-6-16(25)24-27)10-22-18(15)23-11-17(26)21-8-7-12-1-4-14(20)5-2-12/h1-6,9-10,27H,7-8,11H2,(H,21,26)(H,22,23)(H,24,25)/b6-3+.
What are the key properties of (E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide?
(E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide has a molecular weight of 392.82 g/mol, XLogP of 2.16, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-chloro-6-[[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24989367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).