(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide

C14H17Cl2NO2 — CID 51727918

IUPAC(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCOCc1cccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1
InChIInChI=1S/C14H17Cl2NO2/c1-13(9-14(13,15)16)12(18)17-7-10-4-3-5-11(6-10)8-19-2/h3-6H,7-9H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyRIRVQZBBNHGFAU-CYBMUJFWSA-N
MW302.20 g/mol
LogP3.03
Rot. Bonds5

About (1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide

(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 51727918) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is (1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID51727918
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCOCc1cccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1
InChIInChI=1S/C14H17Cl2NO2/c1-13(9-14(13,15)16)12(18)17-7-10-4-3-5-11(6-10)8-19-2/h3-6H,7-9H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyRIRVQZBBNHGFAU-CYBMUJFWSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.03
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

2,2-dichloro-N-[(3-fluorophenyl)methyl]-1-methylcyclopropane-1-carboxamide
CID 46447833
N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpiperidine-4-carboxamide
CID 63122588
2,2-dichloro-N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 46699697
2,2-dichloro-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 46613000
1-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 115437615
2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 47101185
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521
trans-methyl (1S,2S)-2-[[3-(methoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylate
CID 99816213
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
2,2-dichloro-1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 51213391

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide (CID 51727918) is (1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide is COCc1cccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1.
What is the InChIKey of (1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is RIRVQZBBNHGFAU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c1-13(9-14(13,15)16)12(18)17-7-10-4-3-5-11(6-10)8-19-2/h3-6H,7-9H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide?
(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 51727918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).