N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide

C18H20BrN3O3 — CID 3096595

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NN=Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C18H20BrN3O3/c19-15-3-1-14(2-4-15)17-6-5-16(25-17)13-20-21-18(23)7-8-22-9-11-24-12-10-22/h1-6,13H,7-12H2,(H,21,23)
InChIKeySURXKTAYBYBYMB-UHFFFAOYSA-N
MW406.28 g/mol
LogP2.88
Rot. Bonds6

About N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide

N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide (PubChem CID 3096595) has the molecular formula C18H20BrN3O3 and a molecular weight of 406.28 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide
PubChem CID3096595
Molecular FormulaC18H20BrN3O3
Molecular Weight406.28 g/mol
Exact Mass405.07
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NN=Cc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C18H20BrN3O3/c19-15-3-1-14(2-4-15)17-6-5-16(25-17)13-20-21-18(23)7-8-22-9-11-24-12-10-22/h1-6,13H,7-12H2,(H,21,23)
InChIKeySURXKTAYBYBYMB-UHFFFAOYSA-N
XLogP2.88
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-(5-iodofuran-2-yl)methylideneamino]-3-morpholin-4-ylpropanamide
CID 5439570
N-[(Z)-(4-bromophenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5369240
N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide
CID 5346912
2-(4-bromonaphthalen-1-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide
CID 3879614
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 6152553
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 19578276
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide
CID 5052824
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 25251554
2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
CID 41300906
5-(4-bromophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 1316619
2-(4-bromoanilino)-N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]acetamide
CID 126351374
2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126355492

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide (CID 3096595) is N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)NN=Cc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide?
The InChIKey is SURXKTAYBYBYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3/c19-15-3-1-14(2-4-15)17-6-5-16(25-17)13-20-21-18(23)7-8-22-9-11-24-12-10-22/h1-6,13H,7-12H2,(H,21,23).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide?
N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide has a molecular weight of 406.28 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 3096595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).