2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide

C12H16Cl2N2O — CID 65225946

IUPAC2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-2-4-8(7-15)12(17)16-10-6-3-5-9(13)11(10)14/h3,5-6,8H,2,4,7,15H2,1H3,(H,16,17)
InChIKeyQZLUOXUFUGYZNV-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.31
Rot. Bonds5

About 2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide

2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide (PubChem CID 65225946) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide
PubChem CID65225946
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-2-4-8(7-15)12(17)16-10-6-3-5-9(13)11(10)14/h3,5-6,8H,2,4,7,15H2,1H3,(H,16,17)
InChIKeyQZLUOXUFUGYZNV-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,3-dichlorophenyl)-2-methylpropanamide
CID 62669970
N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76925185
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
CID 107528482
2-(aminomethyl)-N-(2-ethylsulfanylphenyl)pentanamide
CID 65229574
2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535
2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide
CID 65226220
2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide
CID 114003459
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
2-(aminomethyl)-N-(3-chloro-2-methylphenyl)-4,4-dimethylpentanamide
CID 107470943
2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
CID 65224354
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
3-amino-4-(2,3-dichloroanilino)-4-oxobutanoic acid
CID 64897220

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide (CID 65225946) is 2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide is CCCC(CN)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide?
The InChIKey is QZLUOXUFUGYZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-2-4-8(7-15)12(17)16-10-6-3-5-9(13)11(10)14/h3,5-6,8H,2,4,7,15H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide?
2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide has a molecular weight of 275.18 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide is sourced from PubChem (CID 65225946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).