N-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide

C29H24F3NO — CID 174881497

IUPACN-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCCc2ccc3c(ccc4ccccc43)c21
InChIInChI=1S/C29H24F3NO/c30-29(31,32)21-8-3-7-20(17-21)28(34)33(22-13-14-22)26-10-4-6-19-12-15-24-23-9-2-1-5-18(23)11-16-25(24)27(19)26/h1-3,5,7-9,11-12,15-17,22,26H,4,6,10,13-14H2
InChIKeyGLMAJGODGIXTQB-UHFFFAOYSA-N
MW459.51 g/mol
LogP7.69
Rot. Bonds3

About N-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide

N-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide (PubChem CID 174881497) has the molecular formula C29H24F3NO and a molecular weight of 459.51 g/mol. Its IUPAC name is N-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide
PubChem CID174881497
Molecular FormulaC29H24F3NO
Molecular Weight459.51 g/mol
Exact Mass459.18
IUPAC NameN-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCCc2ccc3c(ccc4ccccc43)c21
InChIInChI=1S/C29H24F3NO/c30-29(31,32)21-8-3-7-20(17-21)28(34)33(22-13-14-22)26-10-4-6-19-12-15-24-23-9-2-1-5-18(23)11-16-25(24)27(19)26/h1-3,5,7-9,11-12,15-17,22,26H,4,6,10,13-14H2
InChIKeyGLMAJGODGIXTQB-UHFFFAOYSA-N
XLogP7.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.51
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 4689561
N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide
CID 102873211
1-[2-bromo-4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrochrysene
CID 174834129
naphthalen-1-yl 3-(trifluoromethyl)benzoate
CID 7913780
4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrochrysene;1,8-naphthyridine
CID 174660001
N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 79114417
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119728161
4-(3-methoxyphenyl)-1,2,3,4-tetrahydrochrysene
CID 174522262
6-(trifluoromethyl)phenanthrene-1-carboxylic acid
CID 625892
1-ethyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,3,4-tetrahydrochrysene
CID 175305946
N-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 42698837

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide (CID 174881497) is N-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide is O=C(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCCc2ccc3c(ccc4ccccc43)c21.
What is the InChIKey of N-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is GLMAJGODGIXTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3NO/c30-29(31,32)21-8-3-7-20(17-21)28(34)33(22-13-14-22)26-10-4-6-19-12-15-24-23-9-2-1-5-18(23)11-16-25(24)27(19)26/h1-3,5,7-9,11-12,15-17,22,26H,4,6,10,13-14H2.
What are the key properties of N-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide?
N-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 459.51 g/mol, XLogP of 7.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1,2,3,4-tetrahydrochrysen-4-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 174881497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).