N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

C16H13ClFN5O — CID 7465914

IUPACN-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN5O/c17-13-5-1-11(2-6-13)9-19-15(24)10-23-21-16(20-22-23)12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H,19,24)
InChIKeyMOMYQDOEXOORIP-UHFFFAOYSA-N
MW345.77 g/mol
LogP2.45
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide

N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (PubChem CID 7465914) has the molecular formula C16H13ClFN5O and a molecular weight of 345.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
PubChem CID7465914
Molecular FormulaC16H13ClFN5O
Molecular Weight345.77 g/mol
Exact Mass345.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(F)cc2)n1)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFN5O/c17-13-5-1-11(2-6-13)9-19-15(24)10-23-21-16(20-22-23)12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H,19,24)
InChIKeyMOMYQDOEXOORIP-UHFFFAOYSA-N
XLogP2.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[5-(2-fluorophenyl)tetrazol-2-yl]acetamide
CID 2990806
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 2529123
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7995467
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2529149
(2R)-2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide
CID 1144117
2-(4-chloro-N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]anilino)-N-[(4-fluorophenyl)methyl]butanamide
CID 3190272
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 90652899
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
(2R)-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
CID 1144123
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 17443727
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide
CID 856760

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide (CID 7465914) is N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccc(F)cc2)n1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is MOMYQDOEXOORIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O/c17-13-5-1-11(2-6-13)9-19-15(24)10-23-21-16(20-22-23)12-3-7-14(18)8-4-12/h1-8H,9-10H2,(H,19,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide has a molecular weight of 345.77 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7465914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).