5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide

C13H16ClN5O — CID 43701560

IUPAC5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
SMILESCc1nnnn1-c1cccc(NC(=O)CCCCCl)c1
InChIInChI=1S/C13H16ClN5O/c1-10-16-17-18-19(10)12-6-4-5-11(9-12)15-13(20)7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H,15,20)
InChIKeyNSXGFYUZKORWJW-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.32
Rot. Bonds6

About 5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide

5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide (PubChem CID 43701560) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
PubChem CID43701560
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
SMILESCc1nnnn1-c1cccc(NC(=O)CCCCCl)c1
InChIInChI=1S/C13H16ClN5O/c1-10-16-17-18-19(10)12-6-4-5-11(9-12)15-13(20)7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H,15,20)
InChIKeyNSXGFYUZKORWJW-UHFFFAOYSA-N
XLogP2.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
CID 119733067
4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 55677152
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 60866406
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 131890339
2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 55679296
3-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 81070653
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 78864201
N-[3-(5-methyltetrazol-1-yl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 131914850

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide?
The IUPAC name of 5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide (CID 43701560) is 5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide?
The canonical SMILES for 5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide is Cc1nnnn1-c1cccc(NC(=O)CCCCCl)c1.
What is the InChIKey of 5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide?
The InChIKey is NSXGFYUZKORWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-10-16-17-18-19(10)12-6-4-5-11(9-12)15-13(20)7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3,(H,15,20).
What are the key properties of 5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide?
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide has a molecular weight of 293.76 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide is sourced from PubChem (CID 43701560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).