3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide

C20H17ClN6O — CID 60541651

IUPAC3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(Cl)c2ccccc21
InChIInChI=1S/C20H17ClN6O/c1-26-16-8-3-2-7-15(16)17(21)18(26)20(28)22-13-6-4-5-12(11-13)19-23-24-25-27(19)14-9-10-14/h2-8,11,14H,9-10H2,1H3,(H,22,28)
InChIKeyMGWUTKSTGXCLKM-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.07
Rot. Bonds4

About 3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide

3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide (PubChem CID 60541651) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is 3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide
PubChem CID60541651
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC Name3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(Cl)c2ccccc21
InChIInChI=1S/C20H17ClN6O/c1-26-16-8-3-2-7-15(16)17(21)18(26)20(28)22-13-6-4-5-12(11-13)19-23-24-25-27(19)14-9-10-14/h2-8,11,14H,9-10H2,1H3,(H,22,28)
InChIKeyMGWUTKSTGXCLKM-UHFFFAOYSA-N
XLogP4.07
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-ethylindole-3-carboxamide
CID 46532818
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CID 30047747
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 41181443
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 51323319
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417635
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
CID 120587693
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119699613
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide
CID 41181527
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(methoxymethyl)benzamide
CID 41181754

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide?
The IUPAC name of 3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide (CID 60541651) is 3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide is Cn1c(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(Cl)c2ccccc21.
What is the InChIKey of 3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide?
The InChIKey is MGWUTKSTGXCLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-26-16-8-3-2-7-15(16)17(21)18(26)20(28)22-13-6-4-5-12(11-13)19-23-24-25-27(19)14-9-10-14/h2-8,11,14H,9-10H2,1H3,(H,22,28).
What are the key properties of 3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide?
3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 60541651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).