N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide

C15H18F3NO2 — CID 106124320

IUPACN-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)12-5-3-11(4-6-12)14(21)19-9-10-1-7-13(20)8-2-10/h3-6,10,13,20H,1-2,7-9H2,(H,19,21)
InChIKeyPHTBQRDNRGENHB-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.99
Rot. Bonds3

About N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide

N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 106124320) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID106124320
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)12-5-3-11(4-6-12)14(21)19-9-10-1-7-13(20)8-2-10/h3-6,10,13,20H,1-2,7-9H2,(H,19,21)
InChIKeyPHTBQRDNRGENHB-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
CID 25259629
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 108922184
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 114146256
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122391
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110640583
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide
CID 134801187
N-[(4-hydroxycyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 106123022
4-carbamothioyl-N-(cyclopropylmethyl)benzamide
CID 24690503

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide (CID 106124320) is N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide is O=C(NCC1CCC(O)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is PHTBQRDNRGENHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)12-5-3-11(4-6-12)14(21)19-9-10-1-7-13(20)8-2-10/h3-6,10,13,20H,1-2,7-9H2,(H,19,21).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide?
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 301.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 106124320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).