1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea

C14H8Cl2F2N6O — CID 10452652

IUPAC1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1c(Cl)cc(Cl)cc1-c1nn[nH]n1
InChIInChI=1S/C14H8Cl2F2N6O/c15-6-1-10(13-21-23-24-22-13)12(11(16)2-6)20-14(25)19-9-4-7(17)3-8(18)5-9/h1-5H,(H2,19,20,25)(H,21,22,23,24)
InChIKeyZJRPSOLBSICLJB-UHFFFAOYSA-N
MW385.16 g/mol
LogP4.10
Rot. Bonds3

About 1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea

1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea (PubChem CID 10452652) has the molecular formula C14H8Cl2F2N6O and a molecular weight of 385.16 g/mol. Its IUPAC name is 1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
PubChem CID10452652
Molecular FormulaC14H8Cl2F2N6O
Molecular Weight385.16 g/mol
Exact Mass384.01
IUPAC Name1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1c(Cl)cc(Cl)cc1-c1nn[nH]n1
InChIInChI=1S/C14H8Cl2F2N6O/c15-6-1-10(13-21-23-24-22-13)12(11(16)2-6)20-14(25)19-9-4-7(17)3-8(18)5-9/h1-5H,(H2,19,20,25)(H,21,22,23,24)
InChIKeyZJRPSOLBSICLJB-UHFFFAOYSA-N
XLogP4.10
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.16
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
CID 11189524
4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide
CID 69451323
1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 10407640
2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide
CID 10069617
1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 11177530
3-[4-[(3,5-dichlorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N-methylpropanamide
CID 10478021
1-[2-[bis(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(4-chloro-2,6-difluorophenyl)urea
CID 121469174
1-(3-chloro-5-fluorophenyl)-N-[4-(3,4-dimethoxyphenyl)-3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 135178778
N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide
CID 107577373
N-(4-fluorophenyl)-2-(2,4,6-trichloroanilino)acetamide
CID 28992739
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[4-(piperidine-1-carbonyl)phenyl]-3-(2H-tetrazol-5-yl)phenyl]urea
CID 10460651
2-[(3-chloro-5-fluorophenyl)carbamoylamino]acetic acid
CID 107368671

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea?
The IUPAC name of 1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea (CID 10452652) is 1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea.
What is the SMILES notation for 1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea?
The canonical SMILES for 1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea is O=C(Nc1cc(F)cc(F)c1)Nc1c(Cl)cc(Cl)cc1-c1nn[nH]n1.
What is the InChIKey of 1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea?
The InChIKey is ZJRPSOLBSICLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2N6O/c15-6-1-10(13-21-23-24-22-13)12(11(16)2-6)20-14(25)19-9-4-7(17)3-8(18)5-9/h1-5H,(H2,19,20,25)(H,21,22,23,24).
What are the key properties of 1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea?
1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea has a molecular weight of 385.16 g/mol, XLogP of 4.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea is sourced from PubChem (CID 10452652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).