2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide

C27H24ClNO5 — CID 146306514

IUPAC2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide
SMILESCC(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)Nc1ccc(CCCO)cc1
InChIInChI=1S/C27H24ClNO5/c1-17(27(32)29-20-11-9-18(10-12-20)6-5-13-30)33-25-16-24-22(14-23(25)28)21(15-26(31)34-24)19-7-3-2-4-8-19/h2-4,7-12,14-17,30H,5-6,13H2,1H3,(H,29,32)
InChIKeyTZACYEQPMBIZBO-UHFFFAOYSA-N
MW477.94 g/mol
LogP5.44
Rot. Bonds8

About 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide

2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide (PubChem CID 146306514) has the molecular formula C27H24ClNO5 and a molecular weight of 477.94 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide
PubChem CID146306514
Molecular FormulaC27H24ClNO5
Molecular Weight477.94 g/mol
Exact Mass477.13
IUPAC Name2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide
SMILESCC(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)Nc1ccc(CCCO)cc1
InChIInChI=1S/C27H24ClNO5/c1-17(27(32)29-20-11-9-18(10-12-20)6-5-13-30)33-25-16-24-22(14-23(25)28)21(15-26(31)34-24)19-7-3-2-4-8-19/h2-4,7-12,14-17,30H,5-6,13H2,1H3,(H,29,32)
InChIKeyTZACYEQPMBIZBO-UHFFFAOYSA-N
XLogP5.44
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.94
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-(cyclohexylmethyl)propanamide
CID 146342734
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-(3-hydroxypropyl)acetamide
CID 4911631
(2S)-N-(3-hydroxypropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7095334
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide
CID 4910456
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-cyclopropyl-2-phenylacetamide
CID 24520446
(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-(4-piperidin-1-ylphenyl)acetamide
CID 2185652
tert-butyl 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988856
4-butyl-6-chloro-7-[(2S)-1-oxo-1-phenylpropan-2-yl]oxychromen-2-one
CID 2173891
(6-chloro-2-oxo-4-phenylchromen-7-yl) (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 2065261

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide?
The IUPAC name of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide (CID 146306514) is 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide?
The canonical SMILES for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide is CC(Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)C(=O)Nc1ccc(CCCO)cc1.
What is the InChIKey of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide?
The InChIKey is TZACYEQPMBIZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClNO5/c1-17(27(32)29-20-11-9-18(10-12-20)6-5-13-30)33-25-16-24-22(14-23(25)28)21(15-26(31)34-24)19-7-3-2-4-8-19/h2-4,7-12,14-17,30H,5-6,13H2,1H3,(H,29,32).
What are the key properties of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide?
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide has a molecular weight of 477.94 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[4-(3-hydroxypropyl)phenyl]propanamide is sourced from PubChem (CID 146306514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).