3-[(3,4-dichlorophenyl)methylamino]propanamide

C10H12Cl2N2O — CID 43553340

IUPAC3-[(3,4-dichlorophenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O/c11-8-2-1-7(5-9(8)12)6-14-4-3-10(13)15/h1-2,5,14H,3-4,6H2,(H2,13,15)
InChIKeyFDADJWUBWMMREL-UHFFFAOYSA-N
MW247.12 g/mol
LogP1.96
Rot. Bonds5

About 3-[(3,4-dichlorophenyl)methylamino]propanamide

3-[(3,4-dichlorophenyl)methylamino]propanamide (PubChem CID 43553340) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methylamino]propanamide
PubChem CID43553340
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name3-[(3,4-dichlorophenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2O/c11-8-2-1-7(5-9(8)12)6-14-4-3-10(13)15/h1-2,5,14H,3-4,6H2,(H2,13,15)
InChIKeyFDADJWUBWMMREL-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-propylbenzamide
CID 346715
2-chloro-N-(1-(3,4-dichlorophenyl)ethyl)acetamide
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[(3,4-Dichlorophenyl)methyl](methyl)amine
CID 485436
2-Chloro-N-(4-Chlorobenzyl)Acetamide
CID 265741
N-((3,4-dichlorophenyl)methyl)cyclopropanamine
CID 4719898
N-(4-chlorobenzyl)-2-ethylbutanamide
CID 882084
N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 2854245
N-[1''-(3,4-Dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-acetamide
CID 44399552
N-benzyl-N'-[(4-chlorophenyl)methyl]propanediamide
CID 947860
3-[(3,4-Dichlorobenzyl)amino]cyclopent-2-en-1-one
CID 869876
N-(4-chlorobenzyl)pentanamide
CID 2169936
N-(3,4-Dichlorobenzyl)ethanamine
CID 485437

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methylamino]propanamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)methylamino]propanamide (CID 43553340) is 3-[(3,4-dichlorophenyl)methylamino]propanamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methylamino]propanamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methylamino]propanamide is NC(=O)CCNCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methylamino]propanamide?
The InChIKey is FDADJWUBWMMREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c11-8-2-1-7(5-9(8)12)6-14-4-3-10(13)15/h1-2,5,14H,3-4,6H2,(H2,13,15).
What are the key properties of 3-[(3,4-dichlorophenyl)methylamino]propanamide?
3-[(3,4-dichlorophenyl)methylamino]propanamide has a molecular weight of 247.12 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methylamino]propanamide is sourced from PubChem (CID 43553340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).