N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide

C15H16ClF3N6O — CID 38357767

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1nnnn1C1CC1
InChIInChI=1S/C15H16ClF3N6O/c1-24(7-13-21-22-23-25(13)10-3-4-10)8-14(26)20-9-2-5-12(16)11(6-9)15(17,18)19/h2,5-6,10H,3-4,7-8H2,1H3,(H,20,26)
InChIKeySPHBCHYDTVVRAR-UHFFFAOYSA-N
MW388.78 g/mol
LogP2.75
Rot. Bonds6

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide (PubChem CID 38357767) has the molecular formula C15H16ClF3N6O and a molecular weight of 388.78 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide
PubChem CID38357767
Molecular FormulaC15H16ClF3N6O
Molecular Weight388.78 g/mol
Exact Mass388.10
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1nnnn1C1CC1
InChIInChI=1S/C15H16ClF3N6O/c1-24(7-13-21-22-23-25(13)10-3-4-10)8-14(26)20-9-2-5-12(16)11(6-9)15(17,18)19/h2,5-6,10H,3-4,7-8H2,1H3,(H,20,26)
InChIKeySPHBCHYDTVVRAR-UHFFFAOYSA-N
XLogP2.75
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 16577066
2-[(2-amino-2-methylpropyl)-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 120847415
N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide
CID 86922267
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 27217285
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333443
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyanomethyl(methyl)amino]acetamide
CID 38353746
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 2404080
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711413
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1469552
N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 38354927
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide (CID 38357767) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1nnnn1C1CC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide?
The InChIKey is SPHBCHYDTVVRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N6O/c1-24(7-13-21-22-23-25(13)10-3-4-10)8-14(26)20-9-2-5-12(16)11(6-9)15(17,18)19/h2,5-6,10H,3-4,7-8H2,1H3,(H,20,26).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide has a molecular weight of 388.78 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(1-cyclopropyltetrazol-5-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 38357767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).