N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide

C17H19ClN2O3 — CID 2811743

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c(C)o1
InChIInChI=1S/C17H19ClN2O3/c1-11-9-14(12(2)23-11)17(21)19-13-3-4-16(15(18)10-13)20-5-7-22-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,19,21)
InChIKeyGYGZOFRWARSBHX-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.64
Rot. Bonds3

About N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide

N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 2811743) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID2811743
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c(C)o1
InChIInChI=1S/C17H19ClN2O3/c1-11-9-14(12(2)23-11)17(21)19-13-3-4-16(15(18)10-13)20-5-7-22-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,19,21)
InChIKeyGYGZOFRWARSBHX-UHFFFAOYSA-N
XLogP3.64
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 47063347
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 110862042
2,5-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]furan-3-carboxamide
CID 122355081
5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095959
N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
CID 78780293
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696
3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 1114261
N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylbenzamide
CID 131952544
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 2206227
N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide (CID 2811743) is N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)c(C)o1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is GYGZOFRWARSBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11-9-14(12(2)23-11)17(21)19-13-3-4-16(15(18)10-13)20-5-7-22-8-6-20/h3-4,9-10H,5-8H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 334.80 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2811743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).