2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide

C13H15Cl3N2O2 — CID 2452334

IUPAC2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CCl
InChIInChI=1S/C13H15Cl3N2O2/c1-2-5-18(13(20)7-14)8-12(19)17-11-6-9(15)3-4-10(11)16/h3-4,6H,2,5,7-8H2,1H3,(H,17,19)
InChIKeyNCDHCHZSFDNSNC-UHFFFAOYSA-N
MW337.63 g/mol
LogP3.41
Rot. Bonds6

About 2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide

2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide (PubChem CID 2452334) has the molecular formula C13H15Cl3N2O2 and a molecular weight of 337.63 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
PubChem CID2452334
Molecular FormulaC13H15Cl3N2O2
Molecular Weight337.63 g/mol
Exact Mass336.02
IUPAC Name2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CCl
InChIInChI=1S/C13H15Cl3N2O2/c1-2-5-18(13(20)7-14)8-12(19)17-11-6-9(15)3-4-10(11)16/h3-4,6H,2,5,7-8H2,1H3,(H,17,19)
InChIKeyNCDHCHZSFDNSNC-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.63
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
N'-[2-(2,5-dichloroanilino)-2-oxoethyl]-N,N'-dipropylbutanediamide
CID 56538621
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-hydroxyphenyl)-N-propylacetamide
CID 78806558
N-(2,5-dichlorophenyl)-2-[propyl-[2-(trifluoromethylsulfanyl)acetyl]amino]acetamide
CID 55666998
N-(2,5-dichlorophenyl)-2-[[2-(2-methoxyethoxy)acetyl]-propylamino]acetamide
CID 78797414
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dimethyl-N-propylbenzamide
CID 112789981
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-(4-ethoxyphenyl)-N-propylacetamide
CID 52892061
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propyl-3-thiophen-3-ylpropanamide
CID 31970051
N-(2,5-dichlorophenyl)-2-[[2-(3-fluorophenoxy)acetyl]-propylamino]acetamide
CID 2709227

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide (CID 2452334) is 2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is NCDHCHZSFDNSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3N2O2/c1-2-5-18(13(20)7-14)8-12(19)17-11-6-9(15)3-4-10(11)16/h3-4,6H,2,5,7-8H2,1H3,(H,17,19).
What are the key properties of 2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide?
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 337.63 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 2452334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).