N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide

C13H17ClN6O — CID 62838819

IUPACN-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C13H17ClN6O/c1-3-15-9(2)6-13(21)17-12-7-10(4-5-11(12)14)20-8-16-18-19-20/h4-5,7-9,15H,3,6H2,1-2H3,(H,17,21)
InChIKeyHTLKPFMIWNEYNG-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.64
Rot. Bonds6

About N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide

N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide (PubChem CID 62838819) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide
PubChem CID62838819
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC NameN-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C13H17ClN6O/c1-3-15-9(2)6-13(21)17-12-7-10(4-5-11(12)14)20-8-16-18-19-20/h4-5,7-9,15H,3,6H2,1-2H3,(H,17,21)
InChIKeyHTLKPFMIWNEYNG-UHFFFAOYSA-N
XLogP1.64
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropoxy)propanamide
CID 60581267
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196426
(2S)-2-amino-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 61178561
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-difluoroacetamide
CID 103514936
3-chloro-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63679222
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-[[2-(2-methylpropyl)phenyl]methylsulfanyl]acetamide
CID 167981321
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 50777011
(2S)-2-amino-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 61178741
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 50777053
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42571405

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide?
The IUPAC name of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide (CID 62838819) is N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide.
What is the SMILES notation for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide?
The canonical SMILES for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide?
The InChIKey is HTLKPFMIWNEYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-3-15-9(2)6-13(21)17-12-7-10(4-5-11(12)14)20-8-16-18-19-20/h4-5,7-9,15H,3,6H2,1-2H3,(H,17,21).
What are the key properties of N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide?
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide has a molecular weight of 308.77 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-(ethylamino)butanamide is sourced from PubChem (CID 62838819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).