1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide

C19H17ClF3NO2 — CID 55549481

IUPAC1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H17ClF3NO2/c1-24(12-13-4-2-3-5-16(13)26-19(21,22)23)17(25)18(10-11-18)14-6-8-15(20)9-7-14/h2-9H,10-12H2,1H3
InChIKeyMDKVTIANPAAPRN-UHFFFAOYSA-N
MW383.80 g/mol
LogP4.93
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 55549481) has the molecular formula C19H17ClF3NO2 and a molecular weight of 383.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID55549481
Molecular FormulaC19H17ClF3NO2
Molecular Weight383.80 g/mol
Exact Mass383.09
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H17ClF3NO2/c1-24(12-13-4-2-3-5-16(13)26-19(21,22)23)17(25)18(10-11-18)14-6-8-15(20)9-7-14/h2-9H,10-12H2,1H3
InChIKeyMDKVTIANPAAPRN-UHFFFAOYSA-N
XLogP4.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 9110944
1-(4-bromophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 55521659
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 112790191
3-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119278533
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 119278536
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119278535
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 134028500
2-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 119278540
4-amino-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119278553
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 55739617
1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 30777999
N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 60630831

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide (CID 55549481) is 1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is MDKVTIANPAAPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO2/c1-24(12-13-4-2-3-5-16(13)26-19(21,22)23)17(25)18(10-11-18)14-6-8-15(20)9-7-14/h2-9H,10-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 383.80 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55549481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).