2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide

C16H19Cl2NO2 — CID 111110680

IUPAC2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC2(O)CCCc3ccccc32)CC1(Cl)Cl
InChIInChI=1S/C16H19Cl2NO2/c1-14(9-16(14,17)18)13(20)19-10-15(21)8-4-6-11-5-2-3-7-12(11)15/h2-3,5,7,21H,4,6,8-10H2,1H3,(H,19,20)
InChIKeyAZCYTLWXQGEBBX-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.91
Rot. Bonds3

About 2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 111110680) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is 2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID111110680
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCC2(O)CCCc3ccccc32)CC1(Cl)Cl
InChIInChI=1S/C16H19Cl2NO2/c1-14(9-16(14,17)18)13(20)19-10-15(21)8-4-6-11-5-2-3-7-12(11)15/h2-3,5,7,21H,4,6,8-10H2,1H3,(H,19,20)
InChIKeyAZCYTLWXQGEBBX-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide 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

2,2-dichloro-1-methyl-N-[(1-phenylcyclopropyl)methyl]cyclopropane-1-carboxamide
CID 42938996
(1S)-2,2-dichloro-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]cyclopropane-1-carboxamide
CID 95986974
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
CID 111540492
1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone
CID 111110346
tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 95177131
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide
CID 111540494
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 95177201
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide
CID 111110506
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea
CID 111483109
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]urea
CID 111482798
1-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111110415

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide (CID 111110680) is 2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCC2(O)CCCc3ccccc32)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is AZCYTLWXQGEBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c1-14(9-16(14,17)18)13(20)19-10-15(21)8-4-6-11-5-2-3-7-12(11)15/h2-3,5,7,21H,4,6,8-10H2,1H3,(H,19,20).
What are the key properties of 2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 328.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 111110680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).