(2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide

C25H19Cl2NO5 — CID 26020802

IUPAC(2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide
SMILESCOc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C25H19Cl2NO5/c1-14(32-22-10-7-16(26)12-20(22)27)24(29)28-17-8-9-18(23(13-17)31-2)19-11-15-5-3-4-6-21(15)33-25(19)30/h3-14H,1-2H3,(H,28,29)/t14-/m1/s1
InChIKeyOXDZWBLXWRAVMU-CQSZACIVSA-N
MW484.34 g/mol
LogP6.18
Rot. Bonds6

About (2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide

(2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide (PubChem CID 26020802) has the molecular formula C25H19Cl2NO5 and a molecular weight of 484.34 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide
PubChem CID26020802
Molecular FormulaC25H19Cl2NO5
Molecular Weight484.34 g/mol
Exact Mass483.06
IUPAC Name(2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide
SMILESCOc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C25H19Cl2NO5/c1-14(32-22-10-7-16(26)12-20(22)27)24(29)28-17-8-9-18(23(13-17)31-2)19-11-15-5-3-4-6-21(15)33-25(19)30/h3-14H,1-2H3,(H,28,29)/t14-/m1/s1
InChIKeyOXDZWBLXWRAVMU-CQSZACIVSA-N
XLogP6.18
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.34
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3889487
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1256387
2-(2,4-dichlorophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)propanamide
CID 23472059
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2200168
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 3440474
2-(2,4-dichlorophenoxy)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 2953826
(2S)-N-(2-benzyl-1,3-benzoxazol-5-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 41370930

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide (CID 26020802) is (2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide is COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1-c1cc2ccccc2oc1=O.
What is the InChIKey of (2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide?
The InChIKey is OXDZWBLXWRAVMU-CQSZACIVSA-N. The full InChI is InChI=1S/C25H19Cl2NO5/c1-14(32-22-10-7-16(26)12-20(22)27)24(29)28-17-8-9-18(23(13-17)31-2)19-11-15-5-3-4-6-21(15)33-25(19)30/h3-14H,1-2H3,(H,28,29)/t14-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide?
(2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide has a molecular weight of 484.34 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide is sourced from PubChem (CID 26020802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).