2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide

C12H12Cl3NO — CID 66568175

IUPAC2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide
SMILESO=C(CCl)N(Cc1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C12H12Cl3NO/c13-6-12(17)16(10-2-3-10)7-8-5-9(14)1-4-11(8)15/h1,4-5,10H,2-3,6-7H2
InChIKeyQCZSRZQCVYWOKP-UHFFFAOYSA-N
MW292.59 g/mol
LogP3.72
Rot. Bonds4

About 2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide

2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide (PubChem CID 66568175) has the molecular formula C12H12Cl3NO and a molecular weight of 292.59 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide
PubChem CID66568175
Molecular FormulaC12H12Cl3NO
Molecular Weight292.59 g/mol
Exact Mass291.00
IUPAC Name2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide
SMILESO=C(CCl)N(Cc1cc(Cl)ccc1Cl)C1CC1
InChIInChI=1S/C12H12Cl3NO/c13-6-12(17)16(10-2-3-10)7-8-5-9(14)1-4-11(8)15/h1,4-5,10H,2-3,6-7H2
InChIKeyQCZSRZQCVYWOKP-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.59
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide 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

(2S)-2-amino-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]propanamide
CID 66568232
2-chloro-N-[(2,5-dichlorophenyl)methyl]-N-ethylacetamide
CID 66567842
N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
CID 60756148
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013693
N'-cyclopropyl-N'-[(2,5-dichlorophenyl)methyl]ethane-1,2-diamine
CID 66568165
2-chloro-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)acetamide
CID 66568539
4-[[cyclopropyl-[3-(2,4-dichlorophenyl)propanoyl]amino]methyl]benzamide
CID 46579429
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510
N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine
CID 65318354
N-[(2,4-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11602353
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide (CID 66568175) is 2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide is O=C(CCl)N(Cc1cc(Cl)ccc1Cl)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide?
The InChIKey is QCZSRZQCVYWOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl3NO/c13-6-12(17)16(10-2-3-10)7-8-5-9(14)1-4-11(8)15/h1,4-5,10H,2-3,6-7H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide?
2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide has a molecular weight of 292.59 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-[(2,5-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 66568175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).