(4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate

C20H15F3N2O2 — CID 142003466

IUPAC(4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
SMILES[H]/N=C/c1ccc(COC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)15-4-3-5-16(10-15)25-19(26)27-12-14-9-8-13(11-24)17-6-1-2-7-18(14)17/h1-11,24H,12H2,(H,25,26)/b24-11+
InChIKeyGCVOPFYTDLSCEQ-BHGWPJFGSA-N
MW372.35 g/mol
LogP5.60
Rot. Bonds4

About (4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate

(4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate (PubChem CID 142003466) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is (4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name(4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
PubChem CID142003466
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name(4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
SMILES[H]/N=C/c1ccc(COC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)15-4-3-5-16(10-15)25-19(26)27-12-14-9-8-13(11-24)17-6-1-2-7-18(14)17/h1-11,24H,12H2,(H,25,26)/b24-11+
InChIKeyGCVOPFYTDLSCEQ-BHGWPJFGSA-N
XLogP5.60
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.35
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 4162168
2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
(E)-N-(4-methanimidoylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 142003587
3-methanimidoyl-4-[3-(trifluoromethyl)anilino]benzoic acid
CID 91425564
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
4-phenyl-N-[3-(trifluoromethyl)phenyl]but-2-enamide
CID 57294519
N-[3-(naphthalen-1-ylmethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 142157476
2-[(2-methoxyphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108998373
methyl 4-oxo-4-phenyl-2-[3-(trifluoromethyl)anilino]but-2-enoate
CID 3124212
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688

Frequently Asked Questions

What is the IUPAC name of (4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of (4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate (CID 142003466) is (4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for (4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for (4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate is [H]/N=C/c1ccc(COC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12.
What is the InChIKey of (4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is GCVOPFYTDLSCEQ-BHGWPJFGSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c21-20(22,23)15-4-3-5-16(10-15)25-19(26)27-12-14-9-8-13(11-24)17-6-1-2-7-18(14)17/h1-11,24H,12H2,(H,25,26)/b24-11+.
What are the key properties of (4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate?
(4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 372.35 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methanimidoylnaphthalen-1-yl)methyl N-[3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 142003466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).