1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea

C18H19Cl2N7O2 — CID 75400122

IUPAC1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
SMILESCc1ccc(NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cc1-n1cnnn1
InChIInChI=1S/C18H19Cl2N7O2/c1-11-4-5-13(7-15(11)27-10-22-25-26-27)23-17(28)24-18(2,3)9-29-16-14(20)6-12(19)8-21-16/h4-8,10H,9H2,1-3H3,(H2,23,24,28)
InChIKeyWCPQISFUDZHTEB-UHFFFAOYSA-N
MW436.30 g/mol
LogP3.65
Rot. Bonds6

About 1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea

1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea (PubChem CID 75400122) has the molecular formula C18H19Cl2N7O2 and a molecular weight of 436.30 g/mol. Its IUPAC name is 1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
PubChem CID75400122
Molecular FormulaC18H19Cl2N7O2
Molecular Weight436.30 g/mol
Exact Mass435.10
IUPAC Name1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
SMILESCc1ccc(NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cc1-n1cnnn1
InChIInChI=1S/C18H19Cl2N7O2/c1-11-4-5-13(7-15(11)27-10-22-25-26-27)23-17(28)24-18(2,3)9-29-16-14(20)6-12(19)8-21-16/h4-8,10H,9H2,1-3H3,(H2,23,24,28)
InChIKeyWCPQISFUDZHTEB-UHFFFAOYSA-N
XLogP3.65
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
1-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 52597486
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 52597487
2-[2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569427
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
4-[[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]carbamoylamino]butanoic acid
CID 122022871
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 61260669
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 39224162
2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate
CID 65173261

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea (CID 75400122) is 1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea is Cc1ccc(NC(=O)NC(C)(C)COc2ncc(Cl)cc2Cl)cc1-n1cnnn1.
What is the InChIKey of 1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
The InChIKey is WCPQISFUDZHTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N7O2/c1-11-4-5-13(7-15(11)27-10-22-25-26-27)23-17(28)24-18(2,3)9-29-16-14(20)6-12(19)8-21-16/h4-8,10H,9H2,1-3H3,(H2,23,24,28).
What are the key properties of 1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea?
1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea has a molecular weight of 436.30 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dichloro-2-pyridinyl)oxy]-2-methylpropan-2-yl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 75400122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).