N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide

C17H16Cl2N2O3 — CID 38939684

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide
SMILESNC(=O)COc1cccc(NC(=O)CCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c18-14-6-1-3-11(17(14)19)7-8-16(23)21-12-4-2-5-13(9-12)24-10-15(20)22/h1-6,9H,7-8,10H2,(H2,20,22)(H,21,23)
InChIKeyNIVRQAUMEJCTSA-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.43
Rot. Bonds7

About N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide (PubChem CID 38939684) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide
PubChem CID38939684
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide
SMILESNC(=O)COc1cccc(NC(=O)CCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c18-14-6-1-3-11(17(14)19)7-8-16(23)21-12-4-2-5-13(9-12)24-10-15(20)22/h1-6,9H,7-8,10H2,(H2,20,22)(H,21,23)
InChIKeyNIVRQAUMEJCTSA-UHFFFAOYSA-N
XLogP3.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate
CID 55706670
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dichlorophenoxy)propanamide
CID 43078117
3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide
CID 17179095
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
3-(2,3-dichlorophenyl)-N-(3-nitrophenyl)propanamide
CID 38925954
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2-methoxyphenyl)acetamide
CID 18155390
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 24660270
3-(2-aminophenyl)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 54795447
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 24649938
3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56507680
3-(2,3-dichlorophenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 38939923

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide (CID 38939684) is N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide is NC(=O)COc1cccc(NC(=O)CCc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide?
The InChIKey is NIVRQAUMEJCTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c18-14-6-1-3-11(17(14)19)7-8-16(23)21-12-4-2-5-13(9-12)24-10-15(20)22/h1-6,9H,7-8,10H2,(H2,20,22)(H,21,23).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide has a molecular weight of 367.23 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 38939684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).