N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide

C18H17Cl3N2O2 — CID 38926559

IUPACN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C18H17Cl3N2O2/c1-11-13(19)5-3-7-15(11)23-17(25)10-22-16(24)9-8-12-4-2-6-14(20)18(12)21/h2-7H,8-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyPSJNSIKLYVBIDM-UHFFFAOYSA-N
MW399.71 g/mol
LogP4.64
Rot. Bonds6

About N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide (PubChem CID 38926559) has the molecular formula C18H17Cl3N2O2 and a molecular weight of 399.71 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide
PubChem CID38926559
Molecular FormulaC18H17Cl3N2O2
Molecular Weight399.71 g/mol
Exact Mass398.04
IUPAC NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CCc1cccc(Cl)c1Cl
InChIInChI=1S/C18H17Cl3N2O2/c1-11-13(19)5-3-7-15(11)23-17(25)10-22-16(24)9-8-12-4-2-6-14(20)18(12)21/h2-7H,8-10H2,1H3,(H,22,24)(H,23,25)
InChIKeyPSJNSIKLYVBIDM-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.71
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide
CID 38886351
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(2,6-dimethylanilino)acetamide
CID 30706805
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]prop-2-enamide
CID 146150404
(2S)-2-amino-N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 81424178
3-(2,3-dichlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 38912265
[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methylphenyl)acetate
CID 27778647

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide?
The IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide (CID 38926559) is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)CCc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide?
The InChIKey is PSJNSIKLYVBIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O2/c1-11-13(19)5-3-7-15(11)23-17(25)10-22-16(24)9-8-12-4-2-6-14(20)18(12)21/h2-7H,8-10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide?
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide has a molecular weight of 399.71 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 38926559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).