2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide

C19H18F2N6O2 — CID 37228950

IUPAC2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(-c2nnnn2C2CC2)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N6O2/c20-19(21)29-16-9-5-14(6-10-16)23-17(28)11-22-13-3-1-12(2-4-13)18-24-25-26-27(18)15-7-8-15/h1-6,9-10,15,19,22H,7-8,11H2,(H,23,28)
InChIKeyZFEWKTYLPQCGKH-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.33
Rot. Bonds8

About 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide

2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 37228950) has the molecular formula C19H18F2N6O2 and a molecular weight of 400.39 g/mol. Its IUPAC name is 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID37228950
Molecular FormulaC19H18F2N6O2
Molecular Weight400.39 g/mol
Exact Mass400.15
IUPAC Name2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(-c2nnnn2C2CC2)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N6O2/c20-19(21)29-16-9-5-14(6-10-16)23-17(28)11-22-13-3-1-12(2-4-13)18-24-25-26-27(18)15-7-8-15/h1-6,9-10,15,19,22H,7-8,11H2,(H,23,28)
InChIKeyZFEWKTYLPQCGKH-UHFFFAOYSA-N
XLogP3.33
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide with MolForge

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Related Compounds

(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]prop-2-enamide
CID 55560587
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
N-(cyclohexylmethyl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 39998915
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide
CID 55565410
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 134020195
N-[1-(4-bromophenyl)ethyl]-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 55565705
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 51934098
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide
CID 86893928
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 46548477

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide (CID 37228950) is 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide is O=C(CNc1ccc(-c2nnnn2C2CC2)cc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is ZFEWKTYLPQCGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O2/c20-19(21)29-16-9-5-14(6-10-16)23-17(28)11-22-13-3-1-12(2-4-13)18-24-25-26-27(18)15-7-8-15/h1-6,9-10,15,19,22H,7-8,11H2,(H,23,28).
What are the key properties of 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide?
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 400.39 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 37228950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).