(E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide

C23H22FN3O3 — CID 28689023

IUPAC(E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
SMILESNc1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)ccc1N1CCOCC1
InChIInChI=1S/C23H22FN3O3/c24-17-3-1-16(2-4-17)22-9-6-19(30-22)7-10-23(28)26-18-5-8-21(20(25)15-18)27-11-13-29-14-12-27/h1-10,15H,11-14,25H2,(H,26,28)/b10-7+
InChIKeyUQKADSVYGHDOPQ-JXMROGBWSA-N
MW407.45 g/mol
LogP4.16
Rot. Bonds5

About (E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide

(E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide (PubChem CID 28689023) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is (E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
PubChem CID28689023
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name(E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
SMILESNc1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)ccc1N1CCOCC1
InChIInChI=1S/C23H22FN3O3/c24-17-3-1-16(2-4-17)22-9-6-19(30-22)7-10-23(28)26-18-5-8-21(20(25)15-18)27-11-13-29-14-12-27/h1-10,15H,11-14,25H2,(H,26,28)/b10-7+
InChIKeyUQKADSVYGHDOPQ-JXMROGBWSA-N
XLogP4.16
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(3,5-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 28689032
4-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]-2-hydroxybenzoic acid
CID 28678237
(E)-N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 43913976
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
(E)-3-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-(3-chloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 22781365
(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 47006164
(E)-N-(4-amino-2-bromophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 100828766
3-[5-(4-chlorophenyl)furan-2-yl]-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide
CID 3496669
(E)-N-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 17092833
N-(3-amino-4-morpholin-4-ylphenyl)-2-methylpropanamide
CID 28688940
(E)-N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17018332
ethyl 4-(4-benzoylpiperazin-1-yl)-3-[[(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]benzoate
CID 43914493

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide (CID 28689023) is (E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide is Nc1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)ccc1N1CCOCC1.
What is the InChIKey of (E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is UQKADSVYGHDOPQ-JXMROGBWSA-N. The full InChI is InChI=1S/C23H22FN3O3/c24-17-3-1-16(2-4-17)22-9-6-19(30-22)7-10-23(28)26-18-5-8-21(20(25)15-18)27-11-13-29-14-12-27/h1-10,15H,11-14,25H2,(H,26,28)/b10-7+.
What are the key properties of (E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide?
(E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 407.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-amino-4-morpholin-4-ylphenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 28689023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).