5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide

C14H12ClN5O — CID 925609

IUPAC5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide
SMILESCCn1nnnc1NC(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C14H12ClN5O/c1-2-20-14(17-18-19-20)16-13(21)11-7-3-6-10-9(11)5-4-8-12(10)15/h3-8H,2H2,1H3,(H,16,17,19,21)
InChIKeyTWUMLRRZORPJLQ-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.75
Rot. Bonds3

About 5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide

5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide (PubChem CID 925609) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide
PubChem CID925609
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide
SMILESCCn1nnnc1NC(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C14H12ClN5O/c1-2-20-14(17-18-19-20)16-13(21)11-7-3-6-10-9(11)5-4-8-12(10)15/h3-8H,2H2,1H3,(H,16,17,19,21)
InChIKeyTWUMLRRZORPJLQ-UHFFFAOYSA-N
XLogP2.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-1H-tetrazol-5-yl)-2-naphthamide
CID 925601
N-(1-propyltetrazol-5-yl)naphthalene-2-carboxamide
CID 934049
2-Chloro-N-(1-methyl-1H-tetrazol-5-yl)-benzamide
CID 5076145
2,5-dichloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide
CID 935984
5-chloro-N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]naphthalene-1-carboxamide
CID 935971
2-Chloro-4-methyl-N-(1-propyl-1H-tetrazol-5-yl)-benzamide
CID 954521
3-Chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide
CID 965794
2-chloro-3-methyl-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 135252883
3-acetyl-2-chloro-N-(1-ethyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 137462685
2-chloro-3-[2-(dimethylhydrazinylidene)ethyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 155587999
2-chloro-3-[(dimethylhydrazinylidene)methyl]-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 155588007
N-(2-propyl-2H-tetrazol-5-yl)naphthalene-1-carboxamide
CID 934042

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide (CID 925609) is 5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide is CCn1nnnc1NC(=O)c1cccc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide?
The InChIKey is TWUMLRRZORPJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-2-20-14(17-18-19-20)16-13(21)11-7-3-6-10-9(11)5-4-8-12(10)15/h3-8H,2H2,1H3,(H,16,17,19,21).
What are the key properties of 5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide?
5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide has a molecular weight of 301.74 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-ethyltetrazol-5-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 925609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).