N-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine

C22H25N3O3 — CID 174575991

IUPACN-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine
SMILESC1COCCN1.Cc1ccc(C(=O)Nc2cc(-c3ccoc3)ccc2N)cc1
InChIInChI=1S/C18H16N2O2.C4H9NO/c1-12-2-4-13(5-3-12)18(21)20-17-10-14(6-7-16(17)19)15-8-9-22-11-15;1-3-6-4-2-5-1/h2-11H,19H2,1H3,(H,20,21);5H,1-4H2
InChIKeyHPEIMZTVHYYFIH-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.70
Rot. Bonds3

About N-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine

N-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine (PubChem CID 174575991) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine.

Molecular Properties

Compound NameN-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine
PubChem CID174575991
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine
SMILESC1COCCN1.Cc1ccc(C(=O)Nc2cc(-c3ccoc3)ccc2N)cc1
InChIInChI=1S/C18H16N2O2.C4H9NO/c1-12-2-4-13(5-3-12)18(21)20-17-10-14(6-7-16(17)19)15-8-9-22-11-15;1-3-6-4-2-5-1/h2-11H,19H2,1H3,(H,20,21);5H,1-4H2
InChIKeyHPEIMZTVHYYFIH-UHFFFAOYSA-N
XLogP3.70
TPSA89.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide
CID 68725610
N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 115912217
N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 59737553
N-[2-amino-5-(4-fluorophenyl)phenyl]-4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)oxan-4-yl]benzamide
CID 67962233
N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
CID 112557228
N-[2-amino-5-(6-fluoro-3-pyridinyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 69101495
N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide
CID 115912255
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
N-[2-amino-5-(4-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736664
N-[2-amino-5-(3-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736690
4-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)oxan-4-yl]-N-[2-amino-5-(4-fluorophenyl)phenyl]benzamide
CID 59160926
N-(2-amino-4-nitrophenyl)-4-methylbenzamide
CID 3538621

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine?
The IUPAC name of N-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine (CID 174575991) is N-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine.
What is the SMILES notation for N-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine?
The canonical SMILES for N-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine is C1COCCN1.Cc1ccc(C(=O)Nc2cc(-c3ccoc3)ccc2N)cc1.
What is the InChIKey of N-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine?
The InChIKey is HPEIMZTVHYYFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2.C4H9NO/c1-12-2-4-13(5-3-12)18(21)20-17-10-14(6-7-16(17)19)15-8-9-22-11-15;1-3-6-4-2-5-1/h2-11H,19H2,1H3,(H,20,21);5H,1-4H2.
What are the key properties of N-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine?
N-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine has a molecular weight of 379.46 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine is sourced from PubChem (CID 174575991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).