N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide

C20H20F2N4O3 — CID 27883567

IUPACN-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCOc1cc(CCNC(=O)c2nn(-c3ccccc3)nc2C)ccc1OC(F)F
InChIInChI=1S/C20H20F2N4O3/c1-13-18(25-26(24-13)15-6-4-3-5-7-15)19(27)23-11-10-14-8-9-16(29-20(21)22)17(12-14)28-2/h3-9,12,20H,10-11H2,1-2H3,(H,23,27)
InChIKeyQCUCGVLKCNFCMF-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.16
Rot. Bonds8

About N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide

N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 27883567) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID27883567
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC NameN-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCOc1cc(CCNC(=O)c2nn(-c3ccccc3)nc2C)ccc1OC(F)F
InChIInChI=1S/C20H20F2N4O3/c1-13-18(25-26(24-13)15-6-4-3-5-7-15)19(27)23-11-10-14-8-9-16(29-20(21)22)17(12-14)28-2/h3-9,12,20H,10-11H2,1-2H3,(H,23,27)
InChIKeyQCUCGVLKCNFCMF-UHFFFAOYSA-N
XLogP3.16
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methylbenzamide
CID 27883593
2-bromo-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]benzamide
CID 17480805
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 41497826
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 8528927
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36746054
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9482509
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide
CID 26739400
1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 46588982
N-[3-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8528959
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372761

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide (CID 27883567) is N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide is COc1cc(CCNC(=O)c2nn(-c3ccccc3)nc2C)ccc1OC(F)F.
What is the InChIKey of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is QCUCGVLKCNFCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-13-18(25-26(24-13)15-6-4-3-5-7-15)19(27)23-11-10-14-8-9-16(29-20(21)22)17(12-14)28-2/h3-9,12,20H,10-11H2,1-2H3,(H,23,27).
What are the key properties of N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide?
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 27883567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).