2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide

C25H26ClNO4 — CID 146342734

IUPAC2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide
SMILESCC(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCC1CCCCC1
InChIInChI=1S/C25H26ClNO4/c1-16(25(29)27-15-17-8-4-2-5-9-17)30-23-14-22-20(12-21(23)26)19(13-24(28)31-22)18-10-6-3-7-11-18/h3,6-7,10-14,16-17H,2,4-5,8-9,15H2,1H3,(H,27,29)
InChIKeyWTMPMOWRXJWRTI-UHFFFAOYSA-N
MW439.94 g/mol
LogP5.58
Rot. Bonds6

About 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide

2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide (PubChem CID 146342734) has the molecular formula C25H26ClNO4 and a molecular weight of 439.94 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide
PubChem CID146342734
Molecular FormulaC25H26ClNO4
Molecular Weight439.94 g/mol
Exact Mass439.16
IUPAC Name2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide
SMILESCC(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCC1CCCCC1
InChIInChI=1S/C25H26ClNO4/c1-16(25(29)27-15-17-8-4-2-5-9-17)30-23-14-22-20(12-21(23)26)19(13-24(28)31-22)18-10-6-3-7-11-18/h3,6-7,10-14,16-17H,2,4-5,8-9,15H2,1H3,(H,27,29)
InChIKeyWTMPMOWRXJWRTI-UHFFFAOYSA-N
XLogP5.58
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.94
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-ethylpropanamide
CID 24520454
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2,2,2-trifluoroethyl)propanamide
CID 24520440
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide
CID 146306514
4-[[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 982177
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide
CID 24520446
(2S)-N-(3-hydroxypropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7095334
(2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 8015794
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4911631
4-[[[(2S)-2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 41096971
(3R)-1-[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]piperidine-3-carboxylic acid
CID 41087669
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
(2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7632023

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide?
The IUPAC name of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide (CID 146342734) is 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide is CC(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)NCC1CCCCC1.
What is the InChIKey of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide?
The InChIKey is WTMPMOWRXJWRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO4/c1-16(25(29)27-15-17-8-4-2-5-9-17)30-23-14-22-20(12-21(23)26)19(13-24(28)31-22)18-10-6-3-7-11-18/h3,6-7,10-14,16-17H,2,4-5,8-9,15H2,1H3,(H,27,29).
What are the key properties of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide?
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide has a molecular weight of 439.94 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 146342734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).