N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide

C20H19ClN2O4 — CID 11947976

IUPACN-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide
SMILESNCCNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
InChIInChI=1S/C20H19ClN2O4/c21-15-3-1-2-13(8-15)12-26-16-4-5-17-14(9-19(24)23-7-6-22)10-20(25)27-18(17)11-16/h1-5,8,10-11H,6-7,9,12,22H2,(H,23,24)
InChIKeyIRLYTHFEAAIEGX-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.64
Rot. Bonds7

About N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide

N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide (PubChem CID 11947976) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide
PubChem CID11947976
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC NameN-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide
SMILESNCCNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
InChIInChI=1S/C20H19ClN2O4/c21-15-3-1-2-13(8-15)12-26-16-4-5-17-14(9-19(24)23-7-6-22)10-20(25)27-18(17)11-16/h1-5,8,10-11H,6-7,9,12,22H2,(H,23,24)
InChIKeyIRLYTHFEAAIEGX-UHFFFAOYSA-N
XLogP2.64
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.64
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

N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide
CID 119405733
3-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]propanenitrile
CID 118723932
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
4-[(3-chlorophenoxy)methyl]-7-methoxychromen-2-one
CID 7818890
N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882460
2-[7-[(3-fluorophenyl)methoxy]-2-oxochromen-4-yl]-N,N-dimethylacetamide
CID 11948020
N-[(3-chlorophenyl)methyl]-3-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
CID 29131878
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-[2-(ethylamino)ethyl]acetamide
CID 119505661
N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride
CID 134111790
N-[(3-chlorophenyl)methyl]-7-methoxy-4-oxochromene-2-carboxamide
CID 51998294
methyl 3-(4-chlorophenyl)-2-[7-[(4-chlorophenyl)methoxy]-2-oxochromen-4-yl]propanoate
CID 4086247
3-[7-[(3-chlorophenyl)methoxy]-4-methyl-2-oxochromen-3-yl]propanoic acid
CID 1295423

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide (CID 11947976) is N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide is NCCNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12.
What is the InChIKey of N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide?
The InChIKey is IRLYTHFEAAIEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c21-15-3-1-2-13(8-15)12-26-16-4-5-17-14(9-19(24)23-7-6-22)10-20(25)27-18(17)11-16/h1-5,8,10-11H,6-7,9,12,22H2,(H,23,24).
What are the key properties of N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide?
N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide has a molecular weight of 386.84 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[7-[(3-chlorophenyl)methoxy]-2-oxochromen-4-yl]acetamide is sourced from PubChem (CID 11947976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).