N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide

C25H23N5O2 — CID 158054063

IUPACN-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)C3(c4ccc(C)cc4)CC3)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H23N5O2/c1-16-3-7-18(8-4-16)25(13-14-25)24(31)26-19-9-12-21(17-5-10-20(32-2)11-6-17)22(15-19)23-27-29-30-28-23/h3-12,15H,13-14H2,1-2H3,(H,26,31)(H,27,28,29,30)
InChIKeyFJVFKQGCKMHAQD-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.52
Rot. Bonds6

About N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide

N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 158054063) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID158054063
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)C3(c4ccc(C)cc4)CC3)cc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H23N5O2/c1-16-3-7-18(8-4-16)25(13-14-25)24(31)26-19-9-12-21(17-5-10-20(32-2)11-6-17)22(15-19)23-27-29-30-28-23/h3-12,15H,13-14H2,1-2H3,(H,26,31)(H,27,28,29,30)
InChIKeyFJVFKQGCKMHAQD-UHFFFAOYSA-N
XLogP4.52
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 166784768
1-(3-chlorophenyl)-N-[3-(2H-tetrazol-5-yl)-4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopropane-1-carboxamide
CID 135178641
1-(3-chloro-5-fluorophenyl)-N-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178778
4-[4-[(4-methoxyphenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 11853644
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-[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-(6-chloro-3-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178723
1-(3-chlorophenyl)-N-[4-(1-methylindazol-5-yl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 159582927
3-chloro-4-[5-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid;molecular hydrogen
CID 159727506
1-(3-chlorophenyl)-N-[4-(2-fluoro-4-pyridinyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178581
N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198467

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide (CID 158054063) is N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide is COc1ccc(-c2ccc(NC(=O)C3(c4ccc(C)cc4)CC3)cc2-c2nn[nH]n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is FJVFKQGCKMHAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-16-3-7-18(8-4-16)25(13-14-25)24(31)26-19-9-12-21(17-5-10-20(32-2)11-6-17)22(15-19)23-27-29-30-28-23/h3-12,15H,13-14H2,1-2H3,(H,26,31)(H,27,28,29,30).
What are the key properties of N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide?
N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158054063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).