2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

C25H28FN5O3 — CID 138696926

IUPAC2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2c(F)cc(NC(=O)C3CC3C3CCCCC3)cc2-c2nn[nH]n2)cc1OC
InChIInChI=1S/C25H28FN5O3/c1-33-21-9-8-15(10-22(21)34-2)23-19(24-28-30-31-29-24)11-16(12-20(23)26)27-25(32)18-13-17(18)14-6-4-3-5-7-14/h8-12,14,17-18H,3-7,13H2,1-2H3,(H,27,32)(H,28,29,30,31)
InChIKeyWBMAERADKGPZPD-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.84
Rot. Bonds7

About 2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide

2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 138696926) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID138696926
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2c(F)cc(NC(=O)C3CC3C3CCCCC3)cc2-c2nn[nH]n2)cc1OC
InChIInChI=1S/C25H28FN5O3/c1-33-21-9-8-15(10-22(21)34-2)23-19(24-28-30-31-29-24)11-16(12-20(23)26)27-25(32)18-13-17(18)14-6-4-3-5-7-14/h8-12,14,17-18H,3-7,13H2,1-2H3,(H,27,32)(H,28,29,30,31)
InChIKeyWBMAERADKGPZPD-UHFFFAOYSA-N
XLogP4.84
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,2S)-2-cyclohexyl-N-[4-(4-methoxy-3-methylphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 138696214
5-[2-(3,4-dimethoxyphenyl)-3-fluoro-5-nitrophenyl]-2H-tetrazole
CID 138696722
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(6-ethoxy-3-pyridinyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 138696531
trans-(1R,2R)-N-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 138696752
1-(3-chloro-5-fluorophenyl)-N-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178778
1-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 170434313
1-(4-tert-butylcyclohexyl)-3-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-methylurea
CID 170434097
N-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 166784768
(2S,3S)-3-cyclohexyl-2-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118089714
2-[(3-fluoro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43529188
2-(4-fluorophenyl)-3-[[2-methoxy-5-(2H-tetrazol-5-yl)phenyl]methylamino]-N,N-dimethylcyclopentane-1-carboxamide
CID 70347184
2-ethoxy-N-[6-methoxy-5-(2H-tetrazol-5-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 146146504

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide (CID 138696926) is 2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is COc1ccc(-c2c(F)cc(NC(=O)C3CC3C3CCCCC3)cc2-c2nn[nH]n2)cc1OC.
What is the InChIKey of 2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is WBMAERADKGPZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-33-21-9-8-15(10-22(21)34-2)23-19(24-28-30-31-29-24)11-16(12-20(23)26)27-25(32)18-13-17(18)14-6-4-3-5-7-14/h8-12,14,17-18H,3-7,13H2,1-2H3,(H,27,32)(H,28,29,30,31).
What are the key properties of 2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide?
2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4-(3,4-dimethoxyphenyl)-3-fluoro-5-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 138696926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).