2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide

C17H18Cl2N2O — CID 68854438

IUPAC2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide
SMILESO=C(CCl)Nc1cc(CNCCc2ccccc2)ccc1Cl
InChIInChI=1S/C17H18Cl2N2O/c18-11-17(22)21-16-10-14(6-7-15(16)19)12-20-9-8-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2,(H,21,22)
InChIKeyLKZIKPTZDPTIAG-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.85
Rot. Bonds7

About 2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide

2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide (PubChem CID 68854438) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide
PubChem CID68854438
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide
SMILESO=C(CCl)Nc1cc(CNCCc2ccccc2)ccc1Cl
InChIInChI=1S/C17H18Cl2N2O/c18-11-17(22)21-16-10-14(6-7-15(16)19)12-20-9-8-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2,(H,21,22)
InChIKeyLKZIKPTZDPTIAG-UHFFFAOYSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]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

N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]benzamide
CID 68854486
N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 68854440
methyl 4-chloro-3-[[2-(2-phenylethylamino)acetyl]amino]benzoate
CID 108999940
N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 68854212
3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide
CID 109021928
N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide
CID 62908416
2-[4-[(2-phenylethylamino)methyl]phenyl]acetic acid
CID 103234125
4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide
CID 11839733
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-phenylacetamide
CID 2449630
2-phenylethyl 4-(2,5-dichloroanilino)-4-oxobutanoate
CID 4946830
N-(2-chlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025148
N-[(4-methylphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17053119

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide (CID 68854438) is 2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide is O=C(CCl)Nc1cc(CNCCc2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide?
The InChIKey is LKZIKPTZDPTIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c18-11-17(22)21-16-10-14(6-7-15(16)19)12-20-9-8-13-4-2-1-3-5-13/h1-7,10,20H,8-9,11-12H2,(H,21,22).
What are the key properties of 2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide?
2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide has a molecular weight of 337.25 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-chloro-5-[(2-phenylethylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 68854438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).