(2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide

C26H28ClNO4 — CID 155119674

IUPAC(2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide
SMILESCC(CC1CCCC1)NC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3Cl)cc(=O)oc2c1
InChIInChI=1S/C26H28ClNO4/c1-16(13-18-7-3-4-8-18)28-26(30)17(2)31-19-11-12-21-22(15-25(29)32-24(21)14-19)20-9-5-6-10-23(20)27/h5-6,9-12,14-18H,3-4,7-8,13H2,1-2H3,(H,28,30)/t16?,17-/m1/s1
InChIKeyFZFFMRQYPBKCMD-ZYMOGRSISA-N
MW453.97 g/mol
LogP5.97
Rot. Bonds7

About (2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide

(2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide (PubChem CID 155119674) has the molecular formula C26H28ClNO4 and a molecular weight of 453.97 g/mol. Its IUPAC name is (2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide
PubChem CID155119674
Molecular FormulaC26H28ClNO4
Molecular Weight453.97 g/mol
Exact Mass453.17
IUPAC Name(2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide
SMILESCC(CC1CCCC1)NC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3Cl)cc(=O)oc2c1
InChIInChI=1S/C26H28ClNO4/c1-16(13-18-7-3-4-8-18)28-26(30)17(2)31-19-11-12-21-22(15-25(29)32-24(21)14-19)20-9-5-6-10-23(20)27/h5-6,9-12,14-18H,3-4,7-8,13H2,1-2H3,(H,28,30)/t16?,17-/m1/s1
InChIKeyFZFFMRQYPBKCMD-ZYMOGRSISA-N
XLogP5.97
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.97
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)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

propan-2-yl 2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxypropanoate
CID 174138415
2-[1-[2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid
CID 138490837
ethyl (3S)-1-[2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxylate
CID 138498529
4-[[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 982177
2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]-2-phenylacetate
CID 5054539
(2R)-2-[[(2R)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]-2-phenylacetate
CID 7896865
(3S)-1-[(2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxypropanoyl]-5-phenylpiperidine-3-carboxylic acid
CID 155119669
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(cyclohexylmethyl)propanamide
CID 146342734
(2R)-3-methyl-2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 75490946
(2R)-2-[[(2R)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]-3-phenylpropanoic acid
CID 1194318
(2S)-N-(3-hydroxypropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7095334
(2S)-2-[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]-3-phenylpropanoate
CID 7896812

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide?
The IUPAC name of (2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide (CID 155119674) is (2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide is CC(CC1CCCC1)NC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3Cl)cc(=O)oc2c1.
What is the InChIKey of (2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide?
The InChIKey is FZFFMRQYPBKCMD-ZYMOGRSISA-N. The full InChI is InChI=1S/C26H28ClNO4/c1-16(13-18-7-3-4-8-18)28-26(30)17(2)31-19-11-12-21-22(15-25(29)32-24(21)14-19)20-9-5-6-10-23(20)27/h5-6,9-12,14-18H,3-4,7-8,13H2,1-2H3,(H,28,30)/t16?,17-/m1/s1.
What are the key properties of (2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide?
(2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide has a molecular weight of 453.97 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxy-N-(1-cyclopentylpropan-2-yl)propanamide is sourced from PubChem (CID 155119674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).