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

C25H25ClN2O3 — CID 1441687

IUPACN-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C25H25ClN2O3/c26-19-11-7-14-21(17-19)28(25(30)22-15-8-16-31-22)23(18-9-3-1-4-10-18)24(29)27-20-12-5-2-6-13-20/h1,3-4,7-11,14-17,20,23H,2,5-6,12-13H2,(H,27,29)/t23-/m1/s1
InChIKeyORNKNVFQCSXOAX-HSZRJFAPSA-N
MW436.94 g/mol
LogP5.77
Rot. Bonds6

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

N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide (PubChem CID 1441687) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
PubChem CID1441687
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC NameN-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1cccc(Cl)c1
InChIInChI=1S/C25H25ClN2O3/c26-19-11-7-14-21(17-19)28(25(30)22-15-8-16-31-22)23(18-9-3-1-4-10-18)24(29)27-20-12-5-2-6-13-20/h1,3-4,7-11,14-17,20,23H,2,5-6,12-13H2,(H,27,29)/t23-/m1/s1
InChIKeyORNKNVFQCSXOAX-HSZRJFAPSA-N
XLogP5.77
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196708
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196416
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N-phenylfuran-2-carboxamide
CID 3196554
N-(4-acetamidophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide
CID 3191249
N-(3-chlorophenyl)-N-[2-(cyclopentylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196744
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-phenylfuran-2-carboxamide
CID 3196884
N-[(1S)-2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 40624258
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 1469065
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 3196514
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 3197045
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide
CID 1469204
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylfuran-2-carboxamide
CID 1469205

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide (CID 1441687) is N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide is O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?
The InChIKey is ORNKNVFQCSXOAX-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c26-19-11-7-14-21(17-19)28(25(30)22-15-8-16-31-22)23(18-9-3-1-4-10-18)24(29)27-20-12-5-2-6-13-20/h1,3-4,7-11,14-17,20,23H,2,5-6,12-13H2,(H,27,29)/t23-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide?
N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 1441687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).