N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide

C16H19F3N6O — CID 8002554

IUPACN-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1cc(C(F)(F)F)ccc1NC1CCCCC1
InChIInChI=1S/C16H19F3N6O/c17-16(18,19)11-6-7-13(21-12-4-2-1-3-5-12)14(8-11)22-15(26)9-25-10-20-23-24-25/h6-8,10,12,21H,1-5,9H2,(H,22,26)
InChIKeyINSKCLVBMXQXIY-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.08
Rot. Bonds5

About N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide

N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 8002554) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide
PubChem CID8002554
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC NameN-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1cc(C(F)(F)F)ccc1NC1CCCCC1
InChIInChI=1S/C16H19F3N6O/c17-16(18,19)11-6-7-13(21-12-4-2-1-3-5-12)14(8-11)22-15(26)9-25-10-20-23-24-25/h6-8,10,12,21H,1-5,9H2,(H,22,26)
InChIKeyINSKCLVBMXQXIY-UHFFFAOYSA-N
XLogP3.08
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 24686140
2-(2-methyl-2,3-dihydroindol-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 42913349
N-(2-benzylphenyl)-2-(tetrazol-1-yl)acetamide
CID 2612876
2-(indan-5-ylamino)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 67175549
2-(3-nitro-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 749657
1-[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide
CID 16292232
2-[2-(2-oxopyrrolidin-1-yl)anilino]-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 16299494
2-cyclopentyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 25163223
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[4-[3-(tetrazol-1-yl)propyl]phenyl]octanamide
CID 44384625
2,2,3,3,4,4,4-heptafluoro-N-[4-[3-(tetrazol-1-yl)propyl]phenyl]butanamide
CID 44385304
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45814738
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 47024719

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide (CID 8002554) is N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)Nc1cc(C(F)(F)F)ccc1NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is INSKCLVBMXQXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c17-16(18,19)11-6-7-13(21-12-4-2-1-3-5-12)14(8-11)22-15(26)9-25-10-20-23-24-25/h6-8,10,12,21H,1-5,9H2,(H,22,26).
What are the key properties of N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide?
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 368.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 8002554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).