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

C14H9Cl3N6O — CID 10407640

IUPAC1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)ccc1-c1nn[nH]n1
InChIInChI=1S/C14H9Cl3N6O/c15-7-1-2-11(13-20-22-23-21-13)12(6-7)19-14(24)18-10-4-8(16)3-9(17)5-10/h1-6H,(H2,18,19,24)(H,20,21,22,23)
InChIKeyLIIMJYLIMXABQB-UHFFFAOYSA-N
MW383.63 g/mol
LogP4.47
Rot. Bonds3

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

1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea (PubChem CID 10407640) has the molecular formula C14H9Cl3N6O and a molecular weight of 383.63 g/mol. Its IUPAC name is 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea
PubChem CID10407640
Molecular FormulaC14H9Cl3N6O
Molecular Weight383.63 g/mol
Exact Mass381.99
IUPAC Name1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)ccc1-c1nn[nH]n1
InChIInChI=1S/C14H9Cl3N6O/c15-7-1-2-11(13-20-22-23-21-13)12(6-7)19-14(24)18-10-4-8(16)3-9(17)5-10/h1-6H,(H2,18,19,24)(H,20,21,22,23)
InChIKeyLIIMJYLIMXABQB-UHFFFAOYSA-N
XLogP4.47
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide
CID 10478021
1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
CID 11189524
1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 11177530
1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
CID 10452652
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide
CID 68576695
2-[[2-[[2-[5-chloro-2-(2H-tetrazol-5-yl)anilino]-2-oxoacetyl]amino]-3-phenylpropanoyl]amino]benzoic acid
CID 156748236
4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide
CID 69451323
5-(4-chloro-2-iodophenyl)-2H-tetrazole
CID 68634158
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
(2R)-2-[(2-aminoacetyl)amino]-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 167833180
1-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-3-(2,4-dichlorophenyl)urea
CID 162468387
1-(4-chlorophenyl)-3-[2-(cyclopropylmethoxy)-3-(cyclopropylmethyl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]urea
CID 121339573

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea (CID 10407640) is 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)ccc1-c1nn[nH]n1.
What is the InChIKey of 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea?
The InChIKey is LIIMJYLIMXABQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N6O/c15-7-1-2-11(13-20-22-23-21-13)12(6-7)19-14(24)18-10-4-8(16)3-9(17)5-10/h1-6H,(H2,18,19,24)(H,20,21,22,23).
What are the key properties of 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea?
1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea has a molecular weight of 383.63 g/mol, XLogP of 4.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 10407640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).