2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide

C19H19Cl2NO2 — CID 78884991

IUPAC2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(COCc2ccccc2)cc1)C1CC1(Cl)Cl
InChIInChI=1S/C19H19Cl2NO2/c20-19(21)10-17(19)18(23)22-11-14-6-8-16(9-7-14)13-24-12-15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,22,23)
InChIKeyYNQFPCYBUBCYAA-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.21
Rot. Bonds7

About 2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide

2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 78884991) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is 2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID78884991
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(COCc2ccccc2)cc1)C1CC1(Cl)Cl
InChIInChI=1S/C19H19Cl2NO2/c20-19(21)10-17(19)18(23)22-11-14-6-8-16(9-7-14)13-24-12-15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,22,23)
InChIKeyYNQFPCYBUBCYAA-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.21
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-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide;ethane
CID 143534817
(1R)-N-benzyl-2,2-diphenylcyclopropane-1-carboxamide
CID 1247410
N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide
CID 24654786
N-[(1-benzylpiperidin-4-yl)methyl]-2,2-dichlorocyclopropane-1-carboxamide
CID 136579148
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119286438
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286412
1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 51090126
2-(2-methylphenyl)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46464858
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
N-benzyl-6-[(4-fluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462563
2,5-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55694329

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 78884991) is 2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide is O=C(NCc1ccc(COCc2ccccc2)cc1)C1CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is YNQFPCYBUBCYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c20-19(21)10-17(19)18(23)22-11-14-6-8-16(9-7-14)13-24-12-15-4-2-1-3-5-15/h1-9,17H,10-13H2,(H,22,23).
What are the key properties of 2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 364.27 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78884991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).