2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane

C26H43ClF3NO — CID 145310198

IUPAC2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane
SMILESCC.CCCC(C)(C)C.CCCC1(CCC)CC1NC(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H21ClF3NO.C7H16.C2H6/c1-3-7-16(8-4-2)10-14(16)22-15(23)12-9-11(17(19,20)21)5-6-13(12)18;1-5-6-7(2,3)4;1-2/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,22,23);5-6H2,1-4H3;1-2H3
InChIKeyOWGPLDHUTNMFPY-UHFFFAOYSA-N
MW478.08 g/mol
LogP9.31
Rot. Bonds7

About 2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane

2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane (PubChem CID 145310198) has the molecular formula C26H43ClF3NO and a molecular weight of 478.08 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane.

Molecular Properties

Compound Name2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane
PubChem CID145310198
Molecular FormulaC26H43ClF3NO
Molecular Weight478.08 g/mol
Exact Mass477.30
IUPAC Name2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane
SMILESCC.CCCC(C)(C)C.CCCC1(CCC)CC1NC(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H21ClF3NO.C7H16.C2H6/c1-3-7-16(8-4-2)10-14(16)22-15(23)12-9-11(17(19,20)21)5-6-13(12)18;1-5-6-7(2,3)4;1-2/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,22,23);5-6H2,1-4H3;1-2H3
InChIKeyOWGPLDHUTNMFPY-UHFFFAOYSA-N
XLogP9.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.08
LogP ≤ 59.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 154901494
2-chloro-N-[(2R)-6-(4-methylpentyl)-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide
CID 140937015
2-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)-5-(trifluoromethyl)benzamide
CID 45241383
2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide
CID 167056111
2-chloro-N-[4-[(4-ethoxyanilino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 44815772
N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
CID 59186865
2-chloro-N-[4-[[(3-propyl-2H-pyrrol-5-yl)amino]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317406
2-chloro-N-[4-[(2H-pyrrol-5-ylamino)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 58317484
[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]methyl trifluoromethanesulfonate
CID 86656575
2-chloro-5-(trifluoromethyl)-N-[4-[[[5-(trifluoromethyl)-3-pyridinyl]amino]methyl]cyclohexyl]benzamide
CID 58317319
2-chloro-N-[4-[(3,4-dimethylpyrazol-1-yl)methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 53358855
2-chloro-N-[4-[[5-(dihydroxymethyl)pyrazol-1-yl]methyl]cyclohexyl]-5-(trifluoromethyl)benzamide
CID 67364213

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane?
The IUPAC name of 2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane (CID 145310198) is 2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane.
What is the SMILES notation for 2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane?
The canonical SMILES for 2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane is CC.CCCC(C)(C)C.CCCC1(CCC)CC1NC(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane?
The InChIKey is OWGPLDHUTNMFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF3NO.C7H16.C2H6/c1-3-7-16(8-4-2)10-14(16)22-15(23)12-9-11(17(19,20)21)5-6-13(12)18;1-5-6-7(2,3)4;1-2/h5-6,9,14H,3-4,7-8,10H2,1-2H3,(H,22,23);5-6H2,1-4H3;1-2H3.
What are the key properties of 2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane?
2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane has a molecular weight of 478.08 g/mol, XLogP of 9.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dipropylcyclopropyl)-5-(trifluoromethyl)benzamide;2,2-dimethylpentane;ethane is sourced from PubChem (CID 145310198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).