1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide

C19H16ClF3N2O2 — CID 108981000

IUPAC1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCN(C(=O)C1(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C19H16ClF3N2O2/c1-25(13-5-3-2-4-6-13)17(27)18(9-10-18)16(26)24-15-11-12(19(21,22)23)7-8-14(15)20/h2-8,11H,9-10H2,1H3,(H,24,26)
InChIKeyKABAFIQKJSMTBT-UHFFFAOYSA-N
MW396.80 g/mol
LogP4.74
Rot. Bonds4

About 1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide

1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide (PubChem CID 108981000) has the molecular formula C19H16ClF3N2O2 and a molecular weight of 396.80 g/mol. Its IUPAC name is 1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
PubChem CID108981000
Molecular FormulaC19H16ClF3N2O2
Molecular Weight396.80 g/mol
Exact Mass396.09
IUPAC Name1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCN(C(=O)C1(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C19H16ClF3N2O2/c1-25(13-5-3-2-4-6-13)17(27)18(9-10-18)16(26)24-15-11-12(19(21,22)23)7-8-14(15)20/h2-8,11H,9-10H2,1H3,(H,24,26)
InChIKeyKABAFIQKJSMTBT-UHFFFAOYSA-N
XLogP4.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981020
1-N-butyl-1-N'-[2-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108971123
N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide
CID 108984887
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyanocyclopropane-1-carboxamide
CID 80599070
1-N-(2,5-dimethoxyphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108980986
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036553
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylsulfanylpropanamide
CID 7820937
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1317339
1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981009
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-[4-methyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazol-2-yl]cyclopropane-1,1-dicarboxamide
CID 156828667
2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 4117637

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide (CID 108981000) is 1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide is CN(C(=O)C1(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1)c1ccccc1.
What is the InChIKey of 1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The InChIKey is KABAFIQKJSMTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O2/c1-25(13-5-3-2-4-6-13)17(27)18(9-10-18)16(26)24-15-11-12(19(21,22)23)7-8-14(15)20/h2-8,11H,9-10H2,1H3,(H,24,26).
What are the key properties of 1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide has a molecular weight of 396.80 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).