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

C23H15ClF4N6O — CID 159772746

IUPAC1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(F)c(-c2ccnc(C(F)(F)F)c2)c(-c2nn[nH]n2)c1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H15ClF4N6O/c24-14-3-1-2-13(9-14)22(5-6-22)21(35)30-15-10-16(20-31-33-34-32-20)19(17(25)11-15)12-4-7-29-18(8-12)23(26,27)28/h1-4,7-11H,5-6H2,(H,30,35)(H,31,32,33,34)
InChIKeyNGIGMNCEEIZACI-UHFFFAOYSA-N
MW502.86 g/mol
LogP5.41
Rot. Bonds5

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

1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 159772746) has the molecular formula C23H15ClF4N6O and a molecular weight of 502.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide
PubChem CID159772746
Molecular FormulaC23H15ClF4N6O
Molecular Weight502.86 g/mol
Exact Mass502.09
IUPAC Name1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(F)c(-c2ccnc(C(F)(F)F)c2)c(-c2nn[nH]n2)c1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H15ClF4N6O/c24-14-3-1-2-13(9-14)22(5-6-22)21(35)30-15-10-16(20-31-33-34-32-20)19(17(25)11-15)12-4-7-29-18(8-12)23(26,27)28/h1-4,7-11H,5-6H2,(H,30,35)(H,31,32,33,34)
InChIKeyNGIGMNCEEIZACI-UHFFFAOYSA-N
XLogP5.41
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.86
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]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-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178581
1-(2,4-difluorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide
CID 135178768
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-(2H-tetrazol-5-yl)-4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide
CID 135178641
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-[3-methoxy-4-(trifluoromethyl)phenyl]-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135151187
1-(3-chlorophenyl)-N-[4-(4-chloropyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 161136285
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-ethylpyrazol-1-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 162170217
N-[3-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 161110300
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-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439726

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide (CID 159772746) is 1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide is O=C(Nc1cc(F)c(-c2ccnc(C(F)(F)F)c2)c(-c2nn[nH]n2)c1)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is NGIGMNCEEIZACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF4N6O/c24-14-3-1-2-13(9-14)22(5-6-22)21(35)30-15-10-16(20-31-33-34-32-20)19(17(25)11-15)12-4-7-29-18(8-12)23(26,27)28/h1-4,7-11H,5-6H2,(H,30,35)(H,31,32,33,34).
What are the key properties of 1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 502.86 g/mol, XLogP of 5.41, 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-[3-fluoro-5-(2H-tetrazol-5-yl)-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 159772746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).