2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide

C4H5Cl2N5O — CID 130734610

IUPAC2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide
SMILESCC(Cl)(Cl)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C4H5Cl2N5O/c1-4(5,6)2(12)7-3-8-10-11-9-3/h1H3,(H2,7,8,9,10,11,12)
InChIKeyPWBYYIHKYMCMGO-UHFFFAOYSA-N
MW210.02 g/mol
LogP0.33
Rot. Bonds2

About 2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide

2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide (PubChem CID 130734610) has the molecular formula C4H5Cl2N5O and a molecular weight of 210.02 g/mol. Its IUPAC name is 2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide
PubChem CID130734610
Molecular FormulaC4H5Cl2N5O
Molecular Weight210.02 g/mol
Exact Mass208.99
IUPAC Name2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide
SMILESCC(Cl)(Cl)C(=O)Nc1nn[nH]n1
InChIInChI=1S/C4H5Cl2N5O/c1-4(5,6)2(12)7-3-8-10-11-9-3/h1H3,(H2,7,8,9,10,11,12)
InChIKeyPWBYYIHKYMCMGO-UHFFFAOYSA-N
XLogP0.33
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.02
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-methyl-N-(2H-tetrazol-5-yl)propanamide
CID 82108807
3,3-dimethyl-N-(2H-tetrazol-5-yl)butanamide
CID 1225874
2-chloro-N-(2H-tetrazol-5-yl)propanamide
CID 82109317
1,1-dimethyl-3-(2H-tetrazol-5-yl)urea
CID 551595
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2H-tetrazol-5-yl)octanamide
CID 15164340
3-chloro-N-(2H-tetrazol-5-yl)propanamide
CID 3253359
3-methyl-N-(2H-tetrazol-5-yl)butanamide
CID 4550448
6-(tert-butylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
CID 14183506
(2S)-2-amino-N-(2H-tetrazol-5-yl)butanamide;hydrochloride
CID 130835173
(1R)-2,2-dibromo-1-methyl-N-(2H-tetrazol-5-yl)cyclopropane-1-carboxamide
CID 7028492
1-N,2-N-bis(2H-tetrazol-5-yl)benzene-1,2-dicarboxamide
CID 3402764
3-amino-N-(2H-tetrazol-5-yl)propanamide;hydrochloride
CID 130725338

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of 2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide (CID 130734610) is 2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for 2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for 2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide is CC(Cl)(Cl)C(=O)Nc1nn[nH]n1.
What is the InChIKey of 2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide?
The InChIKey is PWBYYIHKYMCMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl2N5O/c1-4(5,6)2(12)7-3-8-10-11-9-3/h1H3,(H2,7,8,9,10,11,12).
What are the key properties of 2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide?
2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide has a molecular weight of 210.02 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 130734610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).