(2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

C17H16FN5O — CID 94048317

IUPAC(2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(NCc1cccc(F)c1)[C@@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C17H16FN5O/c18-15-8-4-7-14(9-15)11-19-17(24)16(23-12-20-21-22-23)10-13-5-2-1-3-6-13/h1-9,12,16H,10-11H2,(H,19,24)/t16-/m1/s1
InChIKeyUPPCENILBKSYET-MRXNPFEDSA-N
MW325.35 g/mol
LogP1.91
Rot. Bonds6

About (2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

(2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 94048317) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is (2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID94048317
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name(2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(NCc1cccc(F)c1)[C@@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C17H16FN5O/c18-15-8-4-7-14(9-15)11-19-17(24)16(23-12-20-21-22-23)10-13-5-2-1-3-6-13/h1-9,12,16H,10-11H2,(H,19,24)/t16-/m1/s1
InChIKeyUPPCENILBKSYET-MRXNPFEDSA-N
XLogP1.91
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[3-[[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]methyl]phenyl]benzamide
CID 55894567
3-phenyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)propanamide
CID 60556281
N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229552
(2R)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814888
(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814887
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857
(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33195281
(2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 33264815
3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide
CID 46447445
(2R)-3-phenyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-(tetrazol-1-yl)propanamide
CID 126439848
N-[4-(4-fluorophenoxy)butyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51260416
N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229398

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 94048317) is (2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is O=C(NCc1cccc(F)c1)[C@@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is UPPCENILBKSYET-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-15-8-4-7-14(9-15)11-19-17(24)16(23-12-20-21-22-23)10-13-5-2-1-3-6-13/h1-9,12,16H,10-11H2,(H,19,24)/t16-/m1/s1.
What are the key properties of (2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
(2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 325.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 94048317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).