N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide

C18H21ClN2O5 — CID 97106459

IUPACN'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC[C@H](O)c2cc(C)oc2C)cc1Cl
InChIInChI=1S/C18H21ClN2O5/c1-10-8-13(11(2)26-10)15(22)6-7-20-17(23)18(24)21-12-4-5-16(25-3)14(19)9-12/h4-5,8-9,15,22H,6-7H2,1-3H3,(H,20,23)(H,21,24)/t15-/m0/s1
InChIKeyOQUQTFSQEPFIMZ-HNNXBMFYSA-N
MW380.83 g/mol
LogP2.74
Rot. Bonds6

About N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide

N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide (PubChem CID 97106459) has the molecular formula C18H21ClN2O5 and a molecular weight of 380.83 g/mol. Its IUPAC name is N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
PubChem CID97106459
Molecular FormulaC18H21ClN2O5
Molecular Weight380.83 g/mol
Exact Mass380.11
IUPAC NameN'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC[C@H](O)c2cc(C)oc2C)cc1Cl
InChIInChI=1S/C18H21ClN2O5/c1-10-8-13(11(2)26-10)15(22)6-7-20-17(23)18(24)21-12-4-5-16(25-3)14(19)9-12/h4-5,8-9,15,22H,6-7H2,1-3H3,(H,20,23)(H,21,24)/t15-/m0/s1
InChIKeyOQUQTFSQEPFIMZ-HNNXBMFYSA-N
XLogP2.74
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 97042989
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 71804376
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide
CID 121133086
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methylpropanamide
CID 121133010
1-(3-chloro-4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 47195717
N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787751
2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide
CID 121133095
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-N'-(thiophen-3-ylmethyl)oxamide
CID 121133292
N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 108984615
N'-(3-chloro-4-methoxyphenyl)-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 95982595
N'-(3-chloro-4-methylphenyl)-N-[(2,5-dimethylfuran-3-yl)methyl]oxamide
CID 56765611
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide (CID 97106459) is N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide is COc1ccc(NC(=O)C(=O)NCC[C@H](O)c2cc(C)oc2C)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The InChIKey is OQUQTFSQEPFIMZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21ClN2O5/c1-10-8-13(11(2)26-10)15(22)6-7-20-17(23)18(24)21-12-4-5-16(25-3)14(19)9-12/h4-5,8-9,15,22H,6-7H2,1-3H3,(H,20,23)(H,21,24)/t15-/m0/s1.
What are the key properties of N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide has a molecular weight of 380.83 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide is sourced from PubChem (CID 97106459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).