2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide

C17H17Cl2NO2 — CID 46699697

IUPAC2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
SMILESCOc1ccc2cc(CNC(=O)C3(C)CC3(Cl)Cl)ccc2c1
InChIInChI=1S/C17H17Cl2NO2/c1-16(10-17(16,18)19)15(21)20-9-11-3-4-13-8-14(22-2)6-5-12(13)7-11/h3-8H,9-10H2,1-2H3,(H,20,21)
InChIKeyINHUGSWWSAEIDI-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.05
Rot. Bonds4

About 2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 46699697) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID46699697
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
SMILESCOc1ccc2cc(CNC(=O)C3(C)CC3(Cl)Cl)ccc2c1
InChIInChI=1S/C17H17Cl2NO2/c1-16(10-17(16,18)19)15(21)20-9-11-3-4-13-8-14(22-2)6-5-12(13)7-11/h3-8H,9-10H2,1-2H3,(H,20,21)
InChIKeyINHUGSWWSAEIDI-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide
CID 51727918
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 119699303
2,2-dichloro-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 46613000
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
1-(2-hydroxyethyl)-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 110894111
2,2-dichloro-N-[(3-fluorophenyl)methyl]-1-methylcyclopropane-1-carboxamide
CID 46447833
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41287271
(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
CID 119276428

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide (CID 46699697) is 2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide is COc1ccc2cc(CNC(=O)C3(C)CC3(Cl)Cl)ccc2c1.
What is the InChIKey of 2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is INHUGSWWSAEIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-16(10-17(16,18)19)15(21)20-9-11-3-4-13-8-14(22-2)6-5-12(13)7-11/h3-8H,9-10H2,1-2H3,(H,20,21).
What are the key properties of 2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 338.23 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 46699697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).