N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide

C11H9Cl3N4O2 — CID 723261

IUPACN-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide
SMILESO=C(N[C@@H](Nc1ncccn1)C(Cl)(Cl)Cl)c1ccco1
InChIInChI=1S/C11H9Cl3N4O2/c12-11(13,14)9(18-10-15-4-2-5-16-10)17-8(19)7-3-1-6-20-7/h1-6,9H,(H,17,19)(H,15,16,18)/t9-/m0/s1
InChIKeyBNYINSCAZVSNAK-VIFPVBQESA-N
MW335.58 g/mol
LogP2.61
Rot. Bonds4

About N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide

N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide (PubChem CID 723261) has the molecular formula C11H9Cl3N4O2 and a molecular weight of 335.58 g/mol. Its IUPAC name is N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide
PubChem CID723261
Molecular FormulaC11H9Cl3N4O2
Molecular Weight335.58 g/mol
Exact Mass333.98
IUPAC NameN-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide
SMILESO=C(N[C@@H](Nc1ncccn1)C(Cl)(Cl)Cl)c1ccco1
InChIInChI=1S/C11H9Cl3N4O2/c12-11(13,14)9(18-10-15-4-2-5-16-10)17-8(19)7-3-1-6-20-7/h1-6,9H,(H,17,19)(H,15,16,18)/t9-/m0/s1
InChIKeyBNYINSCAZVSNAK-VIFPVBQESA-N
XLogP2.61
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,2,2-trichloro-1-(1,3-thiazol-2-ylamino)ethyl]furan-2-carboxamide
CID 3509432
N-[2,2,2-trichloro-1-(4-fluoroanilino)ethyl]furan-2-carboxamide
CID 2887246
N-[2,2,2-trichloro-1-(2-fluoroanilino)ethyl]furan-2-carboxamide
CID 3104209
N-[(1R)-2,2,2-trichloro-1-[(3,4-dichlorophenyl)carbamothioylamino]ethyl]furan-2-carboxamide
CID 1119006
N-[(1R)-1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]furan-2-carboxamide
CID 1106755
N-[(1S)-2,2,2-trichloro-1-[(2-iodophenyl)carbamothioylamino]ethyl]furan-2-carboxamide
CID 1380677
N-[(1S)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]furan-2-carboxamide
CID 31725764
N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide
CID 3090290
N-[(1R)-2,2,2-trichloro-1-[(3-hydroxyphenyl)carbamothioylamino]ethyl]furan-2-carboxamide
CID 1380073
N-[2,2,2-trichloro-1-[(2,4-dimethylphenyl)carbamothioylamino]ethyl]furan-2-carboxamide
CID 2829926
N-[2,2,2-trichloro-1-(6-oxopyrimidin-1-yl)ethyl]furan-2-carboxamide
CID 3090152
N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide
CID 146098608

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide (CID 723261) is N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide is O=C(N[C@@H](Nc1ncccn1)C(Cl)(Cl)Cl)c1ccco1.
What is the InChIKey of N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide?
The InChIKey is BNYINSCAZVSNAK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H9Cl3N4O2/c12-11(13,14)9(18-10-15-4-2-5-16-10)17-8(19)7-3-1-6-20-7/h1-6,9H,(H,17,19)(H,15,16,18)/t9-/m0/s1.
What are the key properties of N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide?
N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide has a molecular weight of 335.58 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 723261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).