2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide

C16H12ClF2N5O — CID 46583110

IUPAC2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H12ClF2N5O/c1-9(16(25)20-12-6-7-13(18)14(19)8-12)24-22-15(21-23-24)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,20,25)
InChIKeyRRZKOMALIFGRAJ-UHFFFAOYSA-N
MW363.76 g/mol
LogP3.47
Rot. Bonds4

About 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide (PubChem CID 46583110) has the molecular formula C16H12ClF2N5O and a molecular weight of 363.76 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
PubChem CID46583110
Molecular FormulaC16H12ClF2N5O
Molecular Weight363.76 g/mol
Exact Mass363.07
IUPAC Name2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H12ClF2N5O/c1-9(16(25)20-12-6-7-13(18)14(19)8-12)24-22-15(21-23-24)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,20,25)
InChIKeyRRZKOMALIFGRAJ-UHFFFAOYSA-N
XLogP3.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9355658
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 42986987
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46582904
(2R)-N-(4-acetamidophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588720
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)butanamide
CID 55434010
(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7489678
(2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide
CID 9355609
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide
CID 38874295
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 46624222
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide
CID 43024295
4-[2-[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]tetrazol-5-yl]benzamide
CID 38983810
N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 111487110

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide?
The IUPAC name of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide (CID 46583110) is 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide is CC(C(=O)Nc1ccc(F)c(F)c1)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide?
The InChIKey is RRZKOMALIFGRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N5O/c1-9(16(25)20-12-6-7-13(18)14(19)8-12)24-22-15(21-23-24)10-2-4-11(17)5-3-10/h2-9H,1H3,(H,20,25).
What are the key properties of 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide?
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide has a molecular weight of 363.76 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide is sourced from PubChem (CID 46583110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).