2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

C18H16ClN5O — CID 51317920

IUPAC2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)C2CC2c2ccccc2Cl)c1
InChIInChI=1S/C18H16ClN5O/c1-24-17(21-22-23-24)11-5-4-6-12(9-11)20-18(25)15-10-14(15)13-7-2-3-8-16(13)19/h2-9,14-15H,10H2,1H3,(H,20,25)
InChIKeyGZZHCNWMEXWEET-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.27
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 51317920) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID51317920
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)C2CC2c2ccccc2Cl)c1
InChIInChI=1S/C18H16ClN5O/c1-24-17(21-22-23-24)11-5-4-6-12(9-11)20-18(25)15-10-14(15)13-7-2-3-8-16(13)19/h2-9,14-15H,10H2,1H3,(H,20,25)
InChIKeyGZZHCNWMEXWEET-UHFFFAOYSA-N
XLogP3.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S,4S)-N-[3-(1-methyltetrazol-5-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98341302
3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 51295099
(2R,3S)-2-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 26124952
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 61177985
1-[(2-chlorophenyl)methyl]-1-methyl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
CID 55698785
1-N-[3-(1-methyltetrazol-5-yl)phenyl]-3-N-phenylpiperidine-1,3-dicarboxamide
CID 47033241
N-[3-(1-methyltetrazol-5-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119276450
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 95311713
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
5,6-dichloro-N-[3-(1-methyltetrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 51304309
3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N-cyclopropylbenzamide
CID 51295410

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (CID 51317920) is 2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is Cn1nnnc1-c1cccc(NC(=O)C2CC2c2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is GZZHCNWMEXWEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-24-17(21-22-23-24)11-5-4-6-12(9-11)20-18(25)15-10-14(15)13-7-2-3-8-16(13)19/h2-9,14-15H,10H2,1H3,(H,20,25).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 51317920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).