N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide

C18H21Cl2N3O2 — CID 8551600

IUPACN-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide
SMILESCc1cc(C(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1C
InChIInChI=1S/C18H21Cl2N3O2/c1-11-7-14(12(2)23(11)4)17(24)9-22(3)10-18(25)21-13-5-6-15(19)16(20)8-13/h5-8H,9-10H2,1-4H3,(H,21,25)
InChIKeyQPJPFKIPGRBLKP-UHFFFAOYSA-N
MW382.29 g/mol
LogP3.70
Rot. Bonds6

About N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide

N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide (PubChem CID 8551600) has the molecular formula C18H21Cl2N3O2 and a molecular weight of 382.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide
PubChem CID8551600
Molecular FormulaC18H21Cl2N3O2
Molecular Weight382.29 g/mol
Exact Mass381.10
IUPAC NameN-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide
SMILESCc1cc(C(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1C
InChIInChI=1S/C18H21Cl2N3O2/c1-11-7-14(12(2)23(11)4)17(24)9-22(3)10-18(25)21-13-5-6-15(19)16(20)8-13/h5-8H,9-10H2,1-4H3,(H,21,25)
InChIKeyQPJPFKIPGRBLKP-UHFFFAOYSA-N
XLogP3.70
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetamide
CID 8552057
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303
N-(4-chlorophenyl)-2-[[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
CID 8815657
N-(3,4-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8709970
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 31374778
2-[[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8785485
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 9043158
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 9198233
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212
N-(3,4-dichlorophenyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]acetamide
CID 9198149

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide (CID 8551600) is N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide is Cc1cc(C(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1C.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide?
The InChIKey is QPJPFKIPGRBLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O2/c1-11-7-14(12(2)23(11)4)17(24)9-22(3)10-18(25)21-13-5-6-15(19)16(20)8-13/h5-8H,9-10H2,1-4H3,(H,21,25).
What are the key properties of N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide?
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide has a molecular weight of 382.29 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]acetamide is sourced from PubChem (CID 8551600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).