N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide

C19H15ClN2O3 — CID 984730

IUPACN-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
SMILESO=C(N[C@@H](Nc1cccc(Cl)c1)C(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C19H15ClN2O3/c20-14-8-4-9-15(12-14)21-18(17(23)13-6-2-1-3-7-13)22-19(24)16-10-5-11-25-16/h1-12,18,21H,(H,22,24)/t18-/m1/s1
InChIKeyJVEYXGZNSROMPA-GOSISDBHSA-N
MW354.79 g/mol
LogP3.98
Rot. Bonds6

About N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide

N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide (PubChem CID 984730) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
PubChem CID984730
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC NameN-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
SMILESO=C(N[C@@H](Nc1cccc(Cl)c1)C(=O)c1ccccc1)c1ccco1
InChIInChI=1S/C19H15ClN2O3/c20-14-8-4-9-15(12-14)21-18(17(23)13-6-2-1-3-7-13)22-19(24)16-10-5-11-25-16/h1-12,18,21H,(H,22,24)/t18-/m1/s1
InChIKeyJVEYXGZNSROMPA-GOSISDBHSA-N
XLogP3.98
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(3-chloroanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1120897
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 7116359
N-[(1S)-1-(4-methoxyanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide
CID 984908
N-[1-(3-iodoanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 2892418
N-[(1S)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]-4-methoxybenzamide
CID 985155
2-[[(1R)-1-(furan-2-carbonylamino)-2-oxo-2-phenylethyl]amino]benzoate
CID 7085502
N-[(1S)-1-(3-chloro-4-methoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1120893
N-[(1R)-1-(3-chloro-4-methoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1120894
2-(3-chloroanilino)-1,3-diphenylpropane-1,3-dione
CID 123487664
N-[1-(3-chloro-2-methylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 2892617
N-[(1R)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1348306
N-[(1S)-1-(4-ethylanilino)-2-(4-methylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 1348307

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide (CID 984730) is N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide is O=C(N[C@@H](Nc1cccc(Cl)c1)C(=O)c1ccccc1)c1ccco1.
What is the InChIKey of N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide?
The InChIKey is JVEYXGZNSROMPA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c20-14-8-4-9-15(12-14)21-18(17(23)13-6-2-1-3-7-13)22-19(24)16-10-5-11-25-16/h1-12,18,21H,(H,22,24)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide?
N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide has a molecular weight of 354.79 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chloroanilino)-2-oxo-2-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 984730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).