3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide

C17H16FN5O — CID 134044042

IUPAC3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)CCc2ccc(F)cc2)ccc1-n1cnnn1
InChIInChI=1S/C17H16FN5O/c1-12-10-15(7-8-16(12)23-11-19-21-22-23)20-17(24)9-4-13-2-5-14(18)6-3-13/h2-3,5-8,10-11H,4,9H2,1H3,(H,20,24)
InChIKeyMPMNSZUPTTWAAS-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.68
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide

3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 134044042) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
PubChem CID134044042
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)CCc2ccc(F)cc2)ccc1-n1cnnn1
InChIInChI=1S/C17H16FN5O/c1-12-10-15(7-8-16(12)23-11-19-21-22-23)20-17(24)9-4-13-2-5-14(18)6-3-13/h2-3,5-8,10-11H,4,9H2,1H3,(H,20,24)
InChIKeyMPMNSZUPTTWAAS-UHFFFAOYSA-N
XLogP2.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)sulfanyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36722357
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 51090538
3-(3,4-dimethoxyphenyl)-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]propanamide
CID 45494122
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55618154
2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate
CID 65173261
3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 31891602
N-[3-methyl-4-(tetrazol-1-yl)phenyl]but-2-enamide
CID 112725296
3-methyl-N-(2-phenylethyl)-4-(tetrazol-1-yl)aniline
CID 43732867
3-(furan-2-yl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 39224251
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 134044071

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide (CID 134044042) is 3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide is Cc1cc(NC(=O)CCc2ccc(F)cc2)ccc1-n1cnnn1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is MPMNSZUPTTWAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-12-10-15(7-8-16(12)23-11-19-21-22-23)20-17(24)9-4-13-2-5-14(18)6-3-13/h2-3,5-8,10-11H,4,9H2,1H3,(H,20,24).
What are the key properties of 3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 325.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 134044042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).