N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide

C16H13F2N5O — CID 51229552

IUPACN-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(Nc1ccc(F)cc1F)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C16H13F2N5O/c17-12-6-7-14(13(18)9-12)20-16(24)15(23-10-19-21-22-23)8-11-4-2-1-3-5-11/h1-7,9-10,15H,8H2,(H,20,24)
InChIKeyBSGJPKFHAYCBJS-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.37
Rot. Bonds5

About N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide

N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 51229552) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID51229552
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC NameN-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(Nc1ccc(F)cc1F)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C16H13F2N5O/c17-12-6-7-14(13(18)9-12)20-16(24)15(23-10-19-21-22-23)8-11-4-2-1-3-5-11/h1-7,9-10,15H,8H2,(H,20,24)
InChIKeyBSGJPKFHAYCBJS-UHFFFAOYSA-N
XLogP2.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 86798495
N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229787
(2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94048317
(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51981117
(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33195281
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
3-phenyl-N-pyridin-3-yl-2-(tetrazol-1-yl)propanamide
CID 47016922
(2R)-N-benzhydryl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 41096542
3-fluoro-N-[3-[[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]methyl]phenyl]benzamide
CID 55894567
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229017
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
3-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-2-(tetrazol-1-yl)propanamide
CID 55610798

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 51229552) is N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide is O=C(Nc1ccc(F)cc1F)C(Cc1ccccc1)n1cnnn1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is BSGJPKFHAYCBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c17-12-6-7-14(13(18)9-12)20-16(24)15(23-10-19-21-22-23)8-11-4-2-1-3-5-11/h1-7,9-10,15H,8H2,(H,20,24).
What are the key properties of N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 329.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 51229552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).