N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide

C25H28F3NO — CID 143379429

IUPACN-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide
SMILESCC(c1ccc(C(=O)N(C2CCC(c3ccccc3)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C25H28F3NO/c1-17(25(26,27)28)18-7-9-21(10-8-18)24(30)29(23-15-16-23)22-13-11-20(12-14-22)19-5-3-2-4-6-19/h2-10,17,20,22-23H,11-16H2,1H3
InChIKeyUYOBPNZGCNYIPW-UHFFFAOYSA-N
MW415.50 g/mol
LogP6.68
Rot. Bonds5

About N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide

N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide (PubChem CID 143379429) has the molecular formula C25H28F3NO and a molecular weight of 415.50 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide
PubChem CID143379429
Molecular FormulaC25H28F3NO
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC NameN-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide
SMILESCC(c1ccc(C(=O)N(C2CCC(c3ccccc3)CC2)C2CC2)cc1)C(F)(F)F
InChIInChI=1S/C25H28F3NO/c1-17(25(26,27)28)18-7-9-21(10-8-18)24(30)29(23-15-16-23)22-13-11-20(12-14-22)19-5-3-2-4-6-19/h2-10,17,20,22-23H,11-16H2,1H3
InChIKeyUYOBPNZGCNYIPW-UHFFFAOYSA-N
XLogP6.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[cyclopropyl-[4-[(2R)-1,1,1-trifluoropropan-2-yl]benzoyl]amino]-1-(4-fluorophenyl)cyclohexyl]methyl carbamate
CID 71146701
methyl 4-[cyclopropyl-[4-[(2R)-1,1,1-trifluoropropan-2-yl]benzoyl]amino]-1-(1,3-thiazol-4-yl)cyclohexane-1-carboxylate
CID 143594798
4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide
CID 19381387
N-cyclopropyl-4-(2,2-difluoro-1-sulfanylpropyl)-N-(4-fluorocyclohexyl)benzamide
CID 143594852
N-cyclopropyl-N-(1-phenylpiperidin-4-yl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 24859388
4-(1-amino-2,2-difluoro-2-phosphanylethyl)-N-(4-cyanocyclohexyl)-N-cyclopropylbenzamide
CID 143594814
N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide
CID 158611008
4-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(4-phenylcyclohexyl)benzamide
CID 55588344
2-[4-[cyclopropyl-[4-(1-fluoro-1-phosphanylpropan-2-yl)benzoyl]amino]cyclohexyl]acetic acid;fluoromethane
CID 143379483
bis(N-cyclopropyl-N-(4-phenylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide);N-cyclopropyl-N-[(1S,3R)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-[(1R,3S)-3-pyridin-2-ylcyclohexyl]-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide;N-cyclopropyl-N-(4-pyrrolidin-1-ylcyclohexyl)-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 160529542
(4-phenylcyclohexyl) 2,2-difluoropropanoate
CID 58372434
(1Z,3Z)-buta-1,3-diene-1,4-diamine;N-cyclopropyl-N-(1-hydroxyheptan-4-yl)-4-(1,1,1-trifluoropropan-2-yl)benzamide
CID 143594688

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide (CID 143379429) is N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide is CC(c1ccc(C(=O)N(C2CCC(c3ccccc3)CC2)C2CC2)cc1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide?
The InChIKey is UYOBPNZGCNYIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3NO/c1-17(25(26,27)28)18-7-9-21(10-8-18)24(30)29(23-15-16-23)22-13-11-20(12-14-22)19-5-3-2-4-6-19/h2-10,17,20,22-23H,11-16H2,1H3.
What are the key properties of N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide?
N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide has a molecular weight of 415.50 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-phenylcyclohexyl)-4-(1,1,1-trifluoropropan-2-yl)benzamide is sourced from PubChem (CID 143379429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).