N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide

C18H19ClN2O4 — CID 47063347

IUPACN-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c(C)o1
InChIInChI=1S/C18H19ClN2O4/c1-11-9-15(12(2)25-11)17(22)20-13-3-4-14(16(19)10-13)18(23)21-5-7-24-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,20,22)
InChIKeyXEUBCEUQMUAQHF-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.27
Rot. Bonds3

About N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide

N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 47063347) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID47063347
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c(C)o1
InChIInChI=1S/C18H19ClN2O4/c1-11-9-15(12(2)25-11)17(22)20-13-3-4-14(16(19)10-13)18(23)21-5-7-24-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,20,22)
InChIKeyXEUBCEUQMUAQHF-UHFFFAOYSA-N
XLogP3.27
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 2811743
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-4-(methylamino)butanamide
CID 119712417
N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
CID 78780293
[2-chloro-4-[(3-methylphenyl)methylamino]phenyl]-morpholin-4-ylmethanone
CID 60538980
2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide
CID 131911219
N-[2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-methylprop-2-enamide
CID 166406546
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 110862042
2-[3-chloro-4-(morpholine-4-carbonyl)anilino]-N-phenylacetamide
CID 60538956
2-amino-N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
CID 119283316
trans-(1S,2S)-2-[[3-chloro-4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27047469
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(2,5-dimethylfuran-3-carbonyl)piperazine-1-carboxamide
CID 47050838
2-chloro-4-methyl-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 56920455

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide (CID 47063347) is N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)c(C)o1.
What is the InChIKey of N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is XEUBCEUQMUAQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-11-9-15(12(2)25-11)17(22)20-13-3-4-14(16(19)10-13)18(23)21-5-7-24-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,20,22).
What are the key properties of N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide?
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 362.81 g/mol, XLogP of 3.27, 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-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 47063347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).