N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide

C14H15F3N2O2 — CID 18648125

IUPACN-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide
SMILESO=C1C[C@H](NC(=O)c2cccc(C(F)(F)F)c2)CCCN1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)10-4-1-3-9(7-10)13(21)19-11-5-2-6-18-12(20)8-11/h1,3-4,7,11H,2,5-6,8H2,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyNSSSSCGGQFOPND-LLVKDONJSA-N
MW300.28 g/mol
LogP2.10
Rot. Bonds2

About N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide

N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide (PubChem CID 18648125) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide
PubChem CID18648125
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC NameN-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide
SMILESO=C1C[C@H](NC(=O)c2cccc(C(F)(F)F)c2)CCCN1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)10-4-1-3-9(7-10)13(21)19-11-5-2-6-18-12(20)8-11/h1,3-4,7,11H,2,5-6,8H2,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyNSSSSCGGQFOPND-LLVKDONJSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-(2-oxoazepan-4-yl)benzamide
CID 19090425
3-fluoro-N-(2-oxopiperidin-4-yl)benzamide
CID 112534527
N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide
CID 18648131
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
3-methyl-N-(2-oxopiperidin-4-yl)benzamide
CID 112534523
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 55705190
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
4-methoxy-N-(2-oxoazepan-4-yl)benzamide
CID 19090438
3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 114156972
2-(cyclopentylmethoxy)-N-(2-oxopiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 112500174

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide (CID 18648125) is N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide is O=C1C[C@H](NC(=O)c2cccc(C(F)(F)F)c2)CCCN1.
What is the InChIKey of N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is NSSSSCGGQFOPND-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)10-4-1-3-9(7-10)13(21)19-11-5-2-6-18-12(20)8-11/h1,3-4,7,11H,2,5-6,8H2,(H,18,20)(H,19,21)/t11-/m1/s1.
What are the key properties of N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide?
N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 300.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 18648125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).