(4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate

C19H19ClN4O4 — CID 130472192

IUPAC(4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate
SMILESCOc1ccc(COC(=O)Nc2nnn(-c3cc(Cl)ccc3OC)c2C)cc1
InChIInChI=1S/C19H19ClN4O4/c1-12-18(21-19(25)28-11-13-4-7-15(26-2)8-5-13)22-23-24(12)16-10-14(20)6-9-17(16)27-3/h4-10H,11H2,1-3H3,(H,21,25)
InChIKeyYNKXSSYRFQDJOZ-UHFFFAOYSA-N
MW402.84 g/mol
LogP4.00
Rot. Bonds6

About (4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate

(4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate (PubChem CID 130472192) has the molecular formula C19H19ClN4O4 and a molecular weight of 402.84 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate
PubChem CID130472192
Molecular FormulaC19H19ClN4O4
Molecular Weight402.84 g/mol
Exact Mass402.11
IUPAC Name(4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate
SMILESCOc1ccc(COC(=O)Nc2nnn(-c3cc(Cl)ccc3OC)c2C)cc1
InChIInChI=1S/C19H19ClN4O4/c1-12-18(21-19(25)28-11-13-4-7-15(26-2)8-5-13)22-23-24(12)16-10-14(20)6-9-17(16)27-3/h4-10H,11H2,1-3H3,(H,21,25)
InChIKeyYNKXSSYRFQDJOZ-UHFFFAOYSA-N
XLogP4.00
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46857970
1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 82198687
1-(5-chloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46857997
(4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate
CID 4643203
1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
CID 46857957
4-chloro-N-[3-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 22424491
2-butan-2-yloxy-5-tert-butyl-N-[1-(2,5-dimethoxyphenyl)-5-methyltriazol-4-yl]benzamide
CID 169248043
1-(5-chloro-2-methoxyphenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyltriazole-4-carboxamide
CID 46857958
N-(5-chloro-2-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7184617
ethyl 1-[[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methyl]-5-methylpyrazole-3-carboxylate
CID 86688726
2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 139026989
(4-fluorophenyl)methyl 1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7175379

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate (CID 130472192) is (4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate is COc1ccc(COC(=O)Nc2nnn(-c3cc(Cl)ccc3OC)c2C)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate?
The InChIKey is YNKXSSYRFQDJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4/c1-12-18(21-19(25)28-11-13-4-7-15(26-2)8-5-13)22-23-24(12)16-10-14(20)6-9-17(16)27-3/h4-10H,11H2,1-3H3,(H,21,25).
What are the key properties of (4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate?
(4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate has a molecular weight of 402.84 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]carbamate is sourced from PubChem (CID 130472192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).