N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide

C23H23ClN2O2 — CID 154874968

IUPACN-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
SMILESCC(NC(=O)CCl)c1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H23ClN2O2/c1-16(26-23(28)14-24)19-9-6-17(7-10-19)15-25-22(27)13-18-8-11-20-4-2-3-5-21(20)12-18/h2-12,16H,13-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyYBZYYWNLPVXXBR-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.11
Rot. Bonds7

About N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide

N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide (PubChem CID 154874968) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
PubChem CID154874968
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC NameN-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
SMILESCC(NC(=O)CCl)c1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H23ClN2O2/c1-16(26-23(28)14-24)19-9-6-17(7-10-19)15-25-22(27)13-18-8-11-20-4-2-3-5-21(20)12-18/h2-12,16H,13-15H2,1H3,(H,25,27)(H,26,28)
InChIKeyYBZYYWNLPVXXBR-UHFFFAOYSA-N
XLogP4.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-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

N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 155821496
2-naphthalen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 55709663
N-[(4-tert-butylphenyl)methyl]-2-naphthalen-2-ylacetamide
CID 68703244
N-[4-[1-[(2-naphthalen-2-ylacetyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468266
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
2-naphthalen-1-yl-N-[(1S)-1-phenylethyl]acetamide
CID 1225206
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26011498
N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide
CID 114305681
N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide
CID 114389774
2-(1H-indol-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 40810685

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide (CID 154874968) is N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide is CC(NC(=O)CCl)c1ccc(CNC(=O)Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide?
The InChIKey is YBZYYWNLPVXXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-16(26-23(28)14-24)19-9-6-17(7-10-19)15-25-22(27)13-18-8-11-20-4-2-3-5-21(20)12-18/h2-12,16H,13-15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide?
N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide has a molecular weight of 394.90 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 154874968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).