N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide

C14H17Cl2N3O2 — CID 31374778

IUPACN-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)NC1CC1
InChIInChI=1S/C14H17Cl2N3O2/c1-19(7-13(20)17-9-2-3-9)8-14(21)18-10-4-5-11(15)12(16)6-10/h4-6,9H,2-3,7-8H2,1H3,(H,17,20)(H,18,21)
InChIKeyYPFFRDUCSOCLHL-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.14
Rot. Bonds6

About N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide

N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 31374778) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID31374778
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC NameN-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)NC1CC1
InChIInChI=1S/C14H17Cl2N3O2/c1-19(7-13(20)17-9-2-3-9)8-14(21)18-10-4-5-11(15)12(16)6-10/h4-6,9H,2-3,7-8H2,1H3,(H,17,20)(H,18,21)
InChIKeyYPFFRDUCSOCLHL-UHFFFAOYSA-N
XLogP2.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9198274
N-cyclopropyl-2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 62037469
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide
CID 24510584
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303
2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053133
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929550
N-(3,4-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8709970
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(3-methylsulfanylphenyl)acetamide
CID 9198233
2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9052723
N-cyclopropyl-4-[(E)-3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxoprop-1-enyl]benzamide
CID 35678805

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide (CID 31374778) is N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is YPFFRDUCSOCLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-19(7-13(20)17-9-2-3-9)8-14(21)18-10-4-5-11(15)12(16)6-10/h4-6,9H,2-3,7-8H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide?
N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 330.22 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 31374778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).