N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

C20H18ClNO4 — CID 19191790

IUPACN-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)cc1Cl
InChIInChI=1S/C20H18ClNO4/c1-11-4-5-14(9-17(11)21)22-20(24)13(3)25-15-6-7-16-12(2)8-19(23)26-18(16)10-15/h4-10,13H,1-3H3,(H,22,24)
InChIKeyRGZOSEZWDRGWFF-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.47
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (PubChem CID 19191790) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
PubChem CID19191790
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1ccc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)cc1Cl
InChIInChI=1S/C20H18ClNO4/c1-11-4-5-14(9-17(11)21)22-20(24)13(3)25-15-6-7-16-12(2)8-19(23)26-18(16)10-15/h4-10,13H,1-3H3,(H,22,24)
InChIKeyRGZOSEZWDRGWFF-UHFFFAOYSA-N
XLogP4.47
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-bromophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7916163
N-(4-acetylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 16544795
N-(4-methyl-2-oxochromen-7-yl)-2-phenoxypropanamide
CID 16551217
4-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzamide
CID 7967896
(2R)-N-(2,5-dichlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 7967861
(2S)-N-(4-methyl-2-oxochromen-7-yl)-2-(4-nitrophenoxy)propanamide
CID 94332276
propan-2-yl 4-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]benzoate
CID 1178021
N-(2,6-dimethylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191724
(2R)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 928071
(2S)-2-[[(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]propanoic acid
CID 7299769
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511939
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (CID 19191790) is N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is Cc1ccc(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The InChIKey is RGZOSEZWDRGWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c1-11-4-5-14(9-17(11)21)22-20(24)13(3)25-15-6-7-16-12(2)8-19(23)26-18(16)10-15/h4-10,13H,1-3H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide has a molecular weight of 371.82 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 19191790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).