2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide

C11H15Cl2N3O — CID 66749518

IUPAC2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide
SMILESNC(=O)C(N)CCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2N3O/c12-8-3-7(4-9(13)5-8)6-16-2-1-10(14)11(15)17/h3-5,10,16H,1-2,6,14H2,(H2,15,17)
InChIKeyAVQFFVNULSCUFZ-UHFFFAOYSA-N
MW276.17 g/mol
LogP1.29
Rot. Bonds6

About 2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide

2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide (PubChem CID 66749518) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide.

Molecular Properties

Compound Name2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide
PubChem CID66749518
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide
SMILESNC(=O)C(N)CCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H15Cl2N3O/c12-8-3-7(4-9(13)5-8)6-16-2-1-10(14)11(15)17/h3-5,10,16H,1-2,6,14H2,(H2,15,17)
InChIKeyAVQFFVNULSCUFZ-UHFFFAOYSA-N
XLogP1.29
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dichlorophenyl)methylamino]ethanol
CID 60788804
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
CID 114162125
4-[(3-chloro-5-fluorophenyl)methylamino]butanamide
CID 114452625
N-[(3,5-dichlorophenyl)methyl]-5-methylhexan-1-amine
CID 113287343
N'-[(3,5-dichlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 91353491
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide
CID 60789054
ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
CID 60811234
N'-[(3-bromo-5-chlorophenyl)methyl]ethane-1,2-diamine
CID 107938708
2-[(3,5-dichlorophenyl)methylamino]oxyacetamide
CID 112672702
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 103247068
2-amino-4-(benzylamino)butanoic acid;2-methylpropane
CID 143664363
2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride
CID 11380226

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide?
The IUPAC name of 2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide (CID 66749518) is 2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide.
What is the SMILES notation for 2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide?
The canonical SMILES for 2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide is NC(=O)C(N)CCNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide?
The InChIKey is AVQFFVNULSCUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c12-8-3-7(4-9(13)5-8)6-16-2-1-10(14)11(15)17/h3-5,10,16H,1-2,6,14H2,(H2,15,17).
What are the key properties of 2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide?
2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide has a molecular weight of 276.17 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(3,5-dichlorophenyl)methylamino]butanamide is sourced from PubChem (CID 66749518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).