1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

C22H16ClFN6O — CID 135178581

IUPAC1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccnc(F)c2)c(-c2nn[nH]n2)c1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H16ClFN6O/c23-15-3-1-2-14(11-15)22(7-8-22)21(31)26-16-4-5-17(13-6-9-25-19(24)10-13)18(12-16)20-27-29-30-28-20/h1-6,9-12H,7-8H2,(H,26,31)(H,27,28,29,30)
InChIKeyYKAQJAOWUBKRQX-UHFFFAOYSA-N
MW434.86 g/mol
LogP4.39
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 135178581) has the molecular formula C22H16ClFN6O and a molecular weight of 434.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID135178581
Molecular FormulaC22H16ClFN6O
Molecular Weight434.86 g/mol
Exact Mass434.11
IUPAC Name1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccnc(F)c2)c(-c2nn[nH]n2)c1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H16ClFN6O/c23-15-3-1-2-14(11-15)22(7-8-22)21(31)26-16-4-5-17(13-6-9-25-19(24)10-13)18(12-16)20-27-29-30-28-20/h1-6,9-12H,7-8H2,(H,26,31)(H,27,28,29,30)
InChIKeyYKAQJAOWUBKRQX-UHFFFAOYSA-N
XLogP4.39
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.86
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-N-[4-(6-chloro-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178723
1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide
CID 159772746
1-(3-chlorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide
CID 135178641
1-(3-chlorophenyl)-N-[4-[3-methoxy-4-(trifluoromethyl)phenyl]-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135151187
1-(3-chlorophenyl)-N-[4-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 161394976
1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 159582927
1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 161136285
1-(3-chloro-5-fluorophenyl)-N-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178778
1-(3-chlorophenyl)-N-[4-(4-ethylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 162170217
1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide
CID 135178768
N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 161110300
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439726

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (CID 135178581) is 1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(-c2ccnc(F)c2)c(-c2nn[nH]n2)c1)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is YKAQJAOWUBKRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN6O/c23-15-3-1-2-14(11-15)22(7-8-22)21(31)26-16-4-5-17(13-6-9-25-19(24)10-13)18(12-16)20-27-29-30-28-20/h1-6,9-12H,7-8H2,(H,26,31)(H,27,28,29,30).
What are the key properties of 1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 434.86 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 135178581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).