N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide

C16H17ClN2O3 — CID 24545173

IUPACN-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O3/c1-11(18-15(20)14-7-4-8-22-14)16(21)19(2)10-12-5-3-6-13(17)9-12/h3-9,11H,10H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyNLWLHHNHBZPIAR-NSHDSACASA-N
MW320.78 g/mol
LogP2.71
Rot. Bonds5

About N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 24545173) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID24545173
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccco1)C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O3/c1-11(18-15(20)14-7-4-8-22-14)16(21)19(2)10-12-5-3-6-13(17)9-12/h3-9,11H,10H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyNLWLHHNHBZPIAR-NSHDSACASA-N
XLogP2.71
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
N-[1-[methyl-[(3-nitrophenyl)methyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 47027180
N-[1-[2-hydroxyethyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60652573
N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 7831628
N-[1-[(3,4-dichlorophenyl)methyl-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112792526
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263
N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 2576347
N-[5-[(3-chlorophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 27795274
N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide
CID 86927049
N-[4-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 47081306
N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853098
N-[(2S)-1-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 34746254

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 24545173) is N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide is C[C@H](NC(=O)c1ccco1)C(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is NLWLHHNHBZPIAR-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-11(18-15(20)14-7-4-8-22-14)16(21)19(2)10-12-5-3-6-13(17)9-12/h3-9,11H,10H2,1-2H3,(H,18,20)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3-chlorophenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 24545173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).