2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide

C21H19ClN2O5 — CID 171915892

IUPAC2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide
SMILESCCNC(=O)c1cc(NC(=O)C(C)Oc2ccc3ccc(=O)oc3c2)ccc1Cl
InChIInChI=1S/C21H19ClN2O5/c1-3-23-21(27)16-10-14(6-8-17(16)22)24-20(26)12(2)28-15-7-4-13-5-9-19(25)29-18(13)11-15/h4-12H,3H2,1-2H3,(H,23,27)(H,24,26)
InChIKeySIVQXAHRTKIXJN-UHFFFAOYSA-N
MW414.85 g/mol
LogP3.60
Rot. Bonds6

About 2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide

2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide (PubChem CID 171915892) has the molecular formula C21H19ClN2O5 and a molecular weight of 414.85 g/mol. Its IUPAC name is 2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide
PubChem CID171915892
Molecular FormulaC21H19ClN2O5
Molecular Weight414.85 g/mol
Exact Mass414.10
IUPAC Name2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide
SMILESCCNC(=O)c1cc(NC(=O)C(C)Oc2ccc3ccc(=O)oc3c2)ccc1Cl
InChIInChI=1S/C21H19ClN2O5/c1-3-23-21(27)16-10-14(6-8-17(16)22)24-20(26)12(2)28-15-7-4-13-5-9-19(25)29-18(13)11-15/h4-12H,3H2,1-2H3,(H,23,27)(H,24,26)
InChIKeySIVQXAHRTKIXJN-UHFFFAOYSA-N
XLogP3.60
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide 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

(2S)-N-(4-ethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 7290663
(2S)-2-(2-oxochromen-7-yl)oxy-N-phenylpropanamide
CID 7564455
(2R)-2-(2-oxochromen-7-yl)oxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7564616
2-(2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 16504652
N-(3-chloro-4-methylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191790
(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7233690
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide
CID 55978454
N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 42888911
ethyl 2-chloro-5-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 132656487
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564685
(2S)-2-(2-oxochromen-7-yl)oxy-N-(2,3,4-trifluorophenyl)propanamide
CID 7290728
5-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-2-chloro-N-ethylbenzamide;hydrochloride
CID 154914912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide?
The IUPAC name of 2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide (CID 171915892) is 2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide?
The canonical SMILES for 2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide is CCNC(=O)c1cc(NC(=O)C(C)Oc2ccc3ccc(=O)oc3c2)ccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide?
The InChIKey is SIVQXAHRTKIXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O5/c1-3-23-21(27)16-10-14(6-8-17(16)22)24-20(26)12(2)28-15-7-4-13-5-9-19(25)29-18(13)11-15/h4-12H,3H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide?
2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide has a molecular weight of 414.85 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-5-[2-(2-oxochromen-7-yl)oxypropanoylamino]benzamide is sourced from PubChem (CID 171915892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).