N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide

C16H21F3N2O2 — CID 119814995

IUPACN-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide
SMILESCC(CCNC(=O)C1CNCCO1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O2/c1-11(12-3-2-4-13(9-12)16(17,18)19)5-6-21-15(22)14-10-20-7-8-23-14/h2-4,9,11,14,20H,5-8,10H2,1H3,(H,21,22)
InChIKeyBQPWCIRTQDRTJY-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.30
Rot. Bonds5

About N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide

N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide (PubChem CID 119814995) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide
PubChem CID119814995
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide
SMILESCC(CCNC(=O)C1CNCCO1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O2/c1-11(12-3-2-4-13(9-12)16(17,18)19)5-6-21-15(22)14-10-20-7-8-23-14/h2-4,9,11,14,20H,5-8,10H2,1H3,(H,21,22)
InChIKeyBQPWCIRTQDRTJY-UHFFFAOYSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(trifluoromethyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686341
(3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide
CID 96521769
3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
CID 119814967
2-morpholin-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119686331
N-[2-(methanesulfonamido)-5-(trifluoromethyl)phenyl]morpholine-2-carboxamide
CID 119775820
1-(3-hydroxypropyl)-3-[3-[3-(trifluoromethyl)phenyl]butyl]urea
CID 111542860
1-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
CID 119341574
2-thiomorpholin-3-yl-N-[3-[3-(trifluoromethyl)phenyl]butyl]acetamide
CID 119940303
N-[2-(2,6-dichlorophenyl)propyl]morpholine-2-carboxamide
CID 119768768
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-2-carboxamide
CID 119830971
N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]-2H-triazole-4-carboxamide
CID 96521766
2-methyl-3-[methyl-[3-[3-(trifluoromethyl)phenyl]butylcarbamoyl]amino]propanoic acid
CID 122004723

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide?
The IUPAC name of N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide (CID 119814995) is N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide?
The canonical SMILES for N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide is CC(CCNC(=O)C1CNCCO1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide?
The InChIKey is BQPWCIRTQDRTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-11(12-3-2-4-13(9-12)16(17,18)19)5-6-21-15(22)14-10-20-7-8-23-14/h2-4,9,11,14,20H,5-8,10H2,1H3,(H,21,22).
What are the key properties of N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide?
N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(trifluoromethyl)phenyl]butyl]morpholine-2-carboxamide is sourced from PubChem (CID 119814995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).