N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

C16H17ClN2O4 — CID 110898699

IUPACN-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O4/c1-10(19-16(22)12-6-7-23-9-12)15(21)18-8-14(20)11-2-4-13(17)5-3-11/h2-7,9-10,14,20H,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyJSBRMFJFPBEZSW-UHFFFAOYSA-N
MW336.78 g/mol
LogP1.90
Rot. Bonds6

About N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 110898699) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID110898699
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC NameN-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O4/c1-10(19-16(22)12-6-7-23-9-12)15(21)18-8-14(20)11-2-4-13(17)5-3-11/h2-7,9-10,14,20H,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyJSBRMFJFPBEZSW-UHFFFAOYSA-N
XLogP1.90
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120653406
N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide
CID 41490385
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid
CID 119233505
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
tert-butyl N-[(2S)-1-[[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95568784
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide
CID 124872786
N-[(2R)-1-[[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94812595
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 110898699) is N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is JSBRMFJFPBEZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-10(19-16(22)12-6-7-23-9-12)15(21)18-8-14(20)11-2-4-13(17)5-3-11/h2-7,9-10,14,20H,8H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 336.78 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 110898699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).