2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide

C12H16Cl2N2O — CID 60789054

IUPAC2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-8(2)16-12(17)7-15-6-9-3-10(13)5-11(14)4-9/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyZTAMFTYPYLJIHN-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.61
Rot. Bonds5

About 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide

2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide (PubChem CID 60789054) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide
PubChem CID60789054
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-8(2)16-12(17)7-15-6-9-3-10(13)5-11(14)4-9/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyZTAMFTYPYLJIHN-UHFFFAOYSA-N
XLogP2.61
TPSA41.13 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 ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406685
2-(3,5-dichloroanilino)-N-propan-2-ylacetamide
CID 28576141
ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
CID 60811234
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide
CID 115282732
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494
N-[(3,5-dichlorophenyl)methyl]acetamide
CID 18425630
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400031
2-(3,5-dichlorophenoxy)-N-propan-2-ylacetamide
CID 84603835
2-[(4-chloro-2-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 62100924
2-[(5-chloro-2-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 78998709
2-[(4-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 43399991
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide (CID 60789054) is 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide?
The InChIKey is ZTAMFTYPYLJIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-8(2)16-12(17)7-15-6-9-3-10(13)5-11(14)4-9/h3-5,8,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide?
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide has a molecular weight of 275.18 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 60789054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).