N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide

C18H21ClN2O4 — CID 97042989

IUPACN'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
SMILESCc1cc([C@H](O)CCNC(=O)C(=O)Nc2cccc(Cl)c2C)c(C)o1
InChIInChI=1S/C18H21ClN2O4/c1-10-9-13(12(3)25-10)16(22)7-8-20-17(23)18(24)21-15-6-4-5-14(19)11(15)2/h4-6,9,16,22H,7-8H2,1-3H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyCJLWHQTVWNCIBW-MRXNPFEDSA-N
MW364.83 g/mol
LogP3.04
Rot. Bonds5

About N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide

N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide (PubChem CID 97042989) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
PubChem CID97042989
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC NameN'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
SMILESCc1cc([C@H](O)CCNC(=O)C(=O)Nc2cccc(Cl)c2C)c(C)o1
InChIInChI=1S/C18H21ClN2O4/c1-10-9-13(12(3)25-10)16(22)7-8-20-17(23)18(24)21-15-6-4-5-14(19)11(15)2/h4-6,9,16,22H,7-8H2,1-3H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyCJLWHQTVWNCIBW-MRXNPFEDSA-N
XLogP3.04
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methylphenyl)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 121133274
N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782312
N'-(3-chloro-4-methoxyphenyl)-N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 97106459
N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
CID 121133272
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methylpropanamide
CID 121133010
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N'-(3-chloro-2-methylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 7585286
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
CID 97042845
2-(4-chlorophenoxy)-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]acetamide
CID 121133095
N'-(2,3-dimethylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782301
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]cyclobutanecarboxamide
CID 121133012
N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787744

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The IUPAC name of N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide (CID 97042989) is N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide.
What is the SMILES notation for N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The canonical SMILES for N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide is Cc1cc([C@H](O)CCNC(=O)C(=O)Nc2cccc(Cl)c2C)c(C)o1.
What is the InChIKey of N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The InChIKey is CJLWHQTVWNCIBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-10-9-13(12(3)25-10)16(22)7-8-20-17(23)18(24)21-15-6-4-5-14(19)11(15)2/h4-6,9,16,22H,7-8H2,1-3H3,(H,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide has a molecular weight of 364.83 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-2-methylphenyl)-N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide is sourced from PubChem (CID 97042989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).