N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C27H20F3N3O2 — CID 155223328

IUPACN-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc2[nH]cnc12
InChIInChI=1S/C27H20F3N3O2/c1-16(21-5-3-6-23-25(21)32-15-31-23)33-26(34)18-8-13-22-17(14-18)4-2-7-24(22)35-20-11-9-19(10-12-20)27(28,29)30/h2-16H,1H3,(H,31,32)(H,33,34)/t16-/m0/s1
InChIKeyCFEYVRQPUXKYGM-INIZCTEOSA-N
MW475.47 g/mol
LogP7.02
Rot. Bonds5

About N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155223328) has the molecular formula C27H20F3N3O2 and a molecular weight of 475.47 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155223328
Molecular FormulaC27H20F3N3O2
Molecular Weight475.47 g/mol
Exact Mass475.15
IUPAC NameN-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc2[nH]cnc12
InChIInChI=1S/C27H20F3N3O2/c1-16(21-5-3-6-23-25(21)32-15-31-23)33-26(34)18-8-13-22-17(14-18)4-2-7-24(22)35-20-11-9-19(10-12-20)27(28,29)30/h2-16H,1H3,(H,31,32)(H,33,34)/t16-/m0/s1
InChIKeyCFEYVRQPUXKYGM-INIZCTEOSA-N
XLogP7.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.47
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-4-yl)ethyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155214162
N-[1-(1-benzothiophen-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214112
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
N-[(1R)-1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213843
N-[(2R,3S)-4-amino-3-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155223368
N-[(2S)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214013
N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213896
N-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214156
N-[(3Z)-4-chloro-3-ethenylhexa-3,5-dien-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155713238
methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 161221161
N-[(1R)-1-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214236
N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane
CID 176698635

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155223328) is N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc2[nH]cnc12.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is CFEYVRQPUXKYGM-INIZCTEOSA-N. The full InChI is InChI=1S/C27H20F3N3O2/c1-16(21-5-3-6-23-25(21)32-15-31-23)33-26(34)18-8-13-22-17(14-18)4-2-7-24(22)35-20-11-9-19(10-12-20)27(28,29)30/h2-16H,1H3,(H,31,32)(H,33,34)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 475.47 g/mol, XLogP of 7.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155223328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).