3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide

C18H18F3N3O2 — CID 59496251

IUPAC3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide
SMILESNC1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)COC1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)14-3-1-2-4-15(14)24-13-7-5-12(6-8-13)9-23-16(25)17(22)10-26-11-17/h1-8,24H,9-11,22H2,(H,23,25)
InChIKeyMGGBZWUZKOBADF-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.79
Rot. Bonds5

About 3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide

3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide (PubChem CID 59496251) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide
PubChem CID59496251
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide
SMILESNC1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)COC1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)14-3-1-2-4-15(14)24-13-7-5-12(6-8-13)9-23-16(25)17(22)10-26-11-17/h1-8,24H,9-11,22H2,(H,23,25)
InChIKeyMGGBZWUZKOBADF-UHFFFAOYSA-N
XLogP2.79
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 66617106
N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 70845448
N-[(3S)-3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyridazine-4-carboxamide
CID 59496472
(3S)-3-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 46898764
(3S)-3-[2-(furan-3-yl)-2-oxoethyl]-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 158445349
2-methoxy-N-[(3S)-3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide
CID 59496460
6-oxo-N-[3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]-1H-pyridine-2-carboxamide
CID 91522612
1-[5-(dimethylamino)-2-oxopentyl]-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]cyclopropane-1-carboxamide
CID 159840108
2-(methylamino)-N-[(3S)-3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide
CID 59496287
6-methyl-N-[3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyridine-3-carboxamide
CID 67542491
2-methoxy-N-[(3S)-3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyridine-4-carboxamide
CID 59496512
2-methoxy-N-[3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyridine-4-carboxamide
CID 67542927

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide?
The IUPAC name of 3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide (CID 59496251) is 3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide?
The canonical SMILES for 3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide is NC1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)COC1.
What is the InChIKey of 3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide?
The InChIKey is MGGBZWUZKOBADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)14-3-1-2-4-15(14)24-13-7-5-12(6-8-13)9-23-16(25)17(22)10-26-11-17/h1-8,24H,9-11,22H2,(H,23,25).
What are the key properties of 3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide?
3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide is sourced from PubChem (CID 59496251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).