1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea

C14H10Cl2N6O — CID 17180029

IUPAC1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2N6O/c15-11-5-4-10(7-12(11)16)18-14(23)17-9-3-1-2-8(6-9)13-19-21-22-20-13/h1-7H,(H2,17,18,23)(H,19,20,21,22)
InChIKeyUJWKCNFIGDPKGE-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.82
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea

1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea (PubChem CID 17180029) has the molecular formula C14H10Cl2N6O and a molecular weight of 349.18 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea
PubChem CID17180029
Molecular FormulaC14H10Cl2N6O
Molecular Weight349.18 g/mol
Exact Mass348.03
IUPAC Name1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2N6O/c15-11-5-4-10(7-12(11)16)18-14(23)17-9-3-1-2-8(6-9)13-19-21-22-20-13/h1-7H,(H2,17,18,23)(H,19,20,21,22)
InChIKeyUJWKCNFIGDPKGE-UHFFFAOYSA-N
XLogP3.82
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea (CID 17180029) is 1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea is O=C(Nc1cccc(-c2nn[nH]n2)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea?
The InChIKey is UJWKCNFIGDPKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N6O/c15-11-5-4-10(7-12(11)16)18-14(23)17-9-3-1-2-8(6-9)13-19-21-22-20-13/h1-7H,(H2,17,18,23)(H,19,20,21,22).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea?
1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea has a molecular weight of 349.18 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea is sourced from PubChem (CID 17180029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).