2-[1-(3,4-dichlorophenyl)propylamino]acetamide

C11H14Cl2N2O — CID 43754703

IUPAC2-[1-(3,4-dichlorophenyl)propylamino]acetamide
SMILESCCC(NCC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-2-10(15-6-11(14)16)7-3-4-8(12)9(13)5-7/h3-5,10,15H,2,6H2,1H3,(H2,14,16)
InChIKeyDKIFSDOIIULKMJ-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.52
Rot. Bonds5

About 2-[1-(3,4-dichlorophenyl)propylamino]acetamide

2-[1-(3,4-dichlorophenyl)propylamino]acetamide (PubChem CID 43754703) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)propylamino]acetamide.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)propylamino]acetamide
PubChem CID43754703
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name2-[1-(3,4-dichlorophenyl)propylamino]acetamide
SMILESCCC(NCC(N)=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-2-10(15-6-11(14)16)7-3-4-8(12)9(13)5-7/h3-5,10,15H,2,6H2,1H3,(H2,14,16)
InChIKeyDKIFSDOIIULKMJ-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3,4-dichlorophenyl)propylamino]butanamide
CID 60863213
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195
1-N-[1-(3,4-dichlorophenyl)propyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913520
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
3-[1-(3,4-dichlorophenyl)propylamino]-2-methylpropanenitrile
CID 62647103
4-[1-(3,4-dichlorophenyl)propylamino]cyclohexane-1-carboxamide
CID 43791661
N-[1-(3,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43754801
3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol
CID 113463351
2-[1-(3,4-dichlorophenyl)propylamino]propan-1-ol
CID 43776340
4-[1-(3,4-dichlorophenyl)ethylamino]butanamide
CID 60865196
2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol
CID 103785268

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)propylamino]acetamide?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)propylamino]acetamide (CID 43754703) is 2-[1-(3,4-dichlorophenyl)propylamino]acetamide.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)propylamino]acetamide?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)propylamino]acetamide is CCC(NCC(N)=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)propylamino]acetamide?
The InChIKey is DKIFSDOIIULKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-2-10(15-6-11(14)16)7-3-4-8(12)9(13)5-7/h3-5,10,15H,2,6H2,1H3,(H2,14,16).
What are the key properties of 2-[1-(3,4-dichlorophenyl)propylamino]acetamide?
2-[1-(3,4-dichlorophenyl)propylamino]acetamide has a molecular weight of 261.15 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)propylamino]acetamide is sourced from PubChem (CID 43754703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).