1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide

C19H18F2N6O — CID 45246019

IUPAC1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)C1CCCN1Cc1cc(F)cc(F)c1
InChIInChI=1S/C19H18F2N6O/c20-14-7-13(8-15(21)9-14)11-26-6-2-5-18(26)19(28)23-16-3-1-4-17(10-16)27-12-22-24-25-27/h1,3-4,7-10,12,18H,2,5-6,11H2,(H,23,28)
InChIKeyBIZHVZXHDYKHRN-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.54
Rot. Bonds5

About 1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide

1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 45246019) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID45246019
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC Name1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)C1CCCN1Cc1cc(F)cc(F)c1
InChIInChI=1S/C19H18F2N6O/c20-14-7-13(8-15(21)9-14)11-26-6-2-5-18(26)19(28)23-16-3-1-4-17(10-16)27-12-22-24-25-27/h1,3-4,7-10,12,18H,2,5-6,11H2,(H,23,28)
InChIKeyBIZHVZXHDYKHRN-UHFFFAOYSA-N
XLogP2.54
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 26409028
(2S)-1-[(3-methylsulfanylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 26405231
(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 25280698
1-(pyridin-4-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45233242
(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42292661
(2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 72862821
(2R)-1-[(4-fluorophenyl)methyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 95786825
methyl 4-[[(2R)-2-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidin-1-yl]methyl]benzoate
CID 25448202
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45243408
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
(2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 51657479

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 45246019) is 1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)C1CCCN1Cc1cc(F)cc(F)c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is BIZHVZXHDYKHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c20-14-7-13(8-15(21)9-14)11-26-6-2-5-18(26)19(28)23-16-3-1-4-17(10-16)27-12-22-24-25-27/h1,3-4,7-10,12,18H,2,5-6,11H2,(H,23,28).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45246019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).