N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide

C12H14Cl2N2O — CID 113268604

IUPACN-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
SMILESC=C(Cl)CNCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C12H14Cl2N2O/c1-8-3-4-10(14)5-11(8)16-12(17)7-15-6-9(2)13/h3-5,15H,2,6-7H2,1H3,(H,16,17)
InChIKeyRFWCSOTXNNULEM-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.93
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide

N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide (PubChem CID 113268604) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
PubChem CID113268604
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
SMILESC=C(Cl)CNCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C12H14Cl2N2O/c1-8-3-4-10(14)5-11(8)16-12(17)7-15-6-9(2)13/h3-5,15H,2,6-7H2,1H3,(H,16,17)
InChIKeyRFWCSOTXNNULEM-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
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N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)amino]acetamide
CID 65106525
2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 131001051
N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide
CID 79352093
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 115745425
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
CID 115325803
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
CID 106174844
N-(5-chloro-2-methylphenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
CID 106129889

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide (CID 113268604) is N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide is C=C(Cl)CNCC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide?
The InChIKey is RFWCSOTXNNULEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-8-3-4-10(14)5-11(8)16-12(17)7-15-6-9(2)13/h3-5,15H,2,6-7H2,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide?
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide has a molecular weight of 273.16 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide is sourced from PubChem (CID 113268604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).