N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide

C20H18N4O3 — CID 1072990

IUPACN-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide
SMILESCCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccco4)cc3n2)cc1
InChIInChI=1S/C20H18N4O3/c1-3-26-15-8-6-14(7-9-15)24-22-17-11-13(2)16(12-18(17)23-24)21-20(25)19-5-4-10-27-19/h4-12H,3H2,1-2H3,(H,21,25)
InChIKeyNIGJDWRAUSWYAW-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.97
Rot. Bonds5

About N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide

N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide (PubChem CID 1072990) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide
PubChem CID1072990
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide
SMILESCCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccco4)cc3n2)cc1
InChIInChI=1S/C20H18N4O3/c1-3-26-15-8-6-14(7-9-15)24-22-17-11-13(2)16(12-18(17)23-24)21-20(25)19-5-4-10-27-19/h4-12H,3H2,1-2H3,(H,21,25)
InChIKeyNIGJDWRAUSWYAW-UHFFFAOYSA-N
XLogP3.97
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]butanamide
CID 2067299
5-bromo-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2-furamide
CID 3236674
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide
CID 654480
N-[6-chloro-2-(4-methylphenyl)-2H-benzotriazol-5-yl]furan-2-carboxamide
CID 661545
3-Furan-2-yl-N-(2-p-tolyl-2H-benzotriazol-5-yl)-acrylamide
CID 782316
N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-5-nitrofuran-2-carboxamide
CID 1104245
5-(3-chlorophenyl)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 1216011
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 1334100
(E)-3-(furan-2-yl)-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]prop-2-enamide
CID 1343704
N-[2-(3,4-dimethylphenyl)-2H-1,2,3-benzotriazol-5-yl]-3-(2-furyl)acrylamide
CID 1365360
Furan-2-carboxylic acid (2-phenyl-2H-benzotriazol-5-yl)-amide
CID 3126582
N-[2-(4-butylphenyl)-2H-1,2,3-benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 4584930

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide (CID 1072990) is N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide is CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccco4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide?
The InChIKey is NIGJDWRAUSWYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-3-26-15-8-6-14(7-9-15)24-22-17-11-13(2)16(12-18(17)23-24)21-20(25)19-5-4-10-27-19/h4-12H,3H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide?
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 1072990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).