(1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide

C13H13Cl2N5O — CID 94001278

IUPAC(1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)[C@@]1(C)CC1(Cl)Cl
InChIInChI=1S/C13H13Cl2N5O/c1-8-3-4-9(20-7-16-18-19-20)5-10(8)17-11(21)12(2)6-13(12,14)15/h3-5,7H,6H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyPAFXOTSNYLKXOE-GFCCVEGCSA-N
MW326.19 g/mol
LogP2.49
Rot. Bonds3

About (1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide

(1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 94001278) has the molecular formula C13H13Cl2N5O and a molecular weight of 326.19 g/mol. Its IUPAC name is (1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID94001278
Molecular FormulaC13H13Cl2N5O
Molecular Weight326.19 g/mol
Exact Mass325.05
IUPAC Name(1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(-n2cnnn2)cc1NC(=O)[C@@]1(C)CC1(Cl)Cl
InChIInChI=1S/C13H13Cl2N5O/c1-8-3-4-9(20-7-16-18-19-20)5-10(8)17-11(21)12(2)6-13(12,14)15/h3-5,7H,6H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyPAFXOTSNYLKXOE-GFCCVEGCSA-N
XLogP2.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-methyl-5-(tetrazol-1-yl)phenyl]oxolane-3-carboxamide
CID 64893334
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CID 60789520
N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopentanecarboxamide
CID 47047444
4-N-tert-butyl-1-N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzene-1,4-dicarboxamide
CID 48857945
2-[[2-methyl-5-(tetrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940554
2-(tert-butylamino)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]acetamide
CID 78923820
4-chloro-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pyridine-2-carboxamide
CID 47047464
5-hydroxy-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentanamide
CID 79198857
N-[2-methyl-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285286
3-amino-4-[2-methyl-5-(tetrazol-1-yl)anilino]-4-oxobutanoic acid
CID 64895694
4-benzyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 47039545
1-[[4-(2-methoxyethoxy)phenyl]methyl]-3-[2-methyl-5-(tetrazol-1-yl)phenyl]urea
CID 47039527

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide (CID 94001278) is (1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide is Cc1ccc(-n2cnnn2)cc1NC(=O)[C@@]1(C)CC1(Cl)Cl.
What is the InChIKey of (1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is PAFXOTSNYLKXOE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H13Cl2N5O/c1-8-3-4-9(20-7-16-18-19-20)5-10(8)17-11(21)12(2)6-13(12,14)15/h3-5,7H,6H2,1-2H3,(H,17,21)/t12-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide?
(1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 326.19 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-1-methyl-N-[2-methyl-5-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94001278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).