N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide

C18H19Cl2N3O2 — CID 54844937

IUPACN-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NCC(=O)Nc2cccc(Cl)c2Cl)ccc1C
InChIInChI=1S/C18H19Cl2N3O2/c1-3-16(24)23-15-9-12(8-7-11(15)2)21-10-17(25)22-14-6-4-5-13(19)18(14)20/h4-9,21H,3,10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyWIQJRIODBBHFER-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.70
Rot. Bonds6

About N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide

N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide (PubChem CID 54844937) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
PubChem CID54844937
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC NameN-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(NCC(=O)Nc2cccc(Cl)c2Cl)ccc1C
InChIInChI=1S/C18H19Cl2N3O2/c1-3-16(24)23-15-9-12(8-7-11(15)2)21-10-17(25)22-14-6-4-5-13(19)18(14)20/h4-9,21H,3,10H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyWIQJRIODBBHFER-UHFFFAOYSA-N
XLogP4.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 9100051
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
2-(4-acetamidoanilino)-N-(2,3-dichlorophenyl)acetamide
CID 54808241
N-[2-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]phenyl]propanamide
CID 54844965
2-(4-chloroanilino)-N-(2,3-dichlorophenyl)acetamide
CID 26417216
N-[3-[[2-(2-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833047
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
N-(2,3-dichlorophenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109010402
N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109010323
N-tert-butyl-4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 31699711
2-(5-acetamido-2-fluoroanilino)-N-(2,3-dichlorophenyl)acetamide
CID 37278206

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The IUPAC name of N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide (CID 54844937) is N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The canonical SMILES for N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide is CCC(=O)Nc1cc(NCC(=O)Nc2cccc(Cl)c2Cl)ccc1C.
What is the InChIKey of N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
The InChIKey is WIQJRIODBBHFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-3-16(24)23-15-9-12(8-7-11(15)2)21-10-17(25)22-14-6-4-5-13(19)18(14)20/h4-9,21H,3,10H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide?
N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide has a molecular weight of 380.28 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide is sourced from PubChem (CID 54844937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).