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

C20H13ClF2N6O — CID 11189524

IUPAC1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1ccc(-c2ccc(Cl)cc2)cc1-c1nn[nH]n1
InChIInChI=1S/C20H13ClF2N6O/c21-13-4-1-11(2-5-13)12-3-6-18(17(7-12)19-26-28-29-27-19)25-20(30)24-16-9-14(22)8-15(23)10-16/h1-10H,(H2,24,25,30)(H,26,27,28,29)
InChIKeyOIWJQMZHVFTYCF-UHFFFAOYSA-N
MW426.81 g/mol
LogP5.11
Rot. Bonds4

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

1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea (PubChem CID 11189524) has the molecular formula C20H13ClF2N6O and a molecular weight of 426.81 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
PubChem CID11189524
Molecular FormulaC20H13ClF2N6O
Molecular Weight426.81 g/mol
Exact Mass426.08
IUPAC Name1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)cc(F)c1)Nc1ccc(-c2ccc(Cl)cc2)cc1-c1nn[nH]n1
InChIInChI=1S/C20H13ClF2N6O/c21-13-4-1-11(2-5-13)12-3-6-18(17(7-12)19-26-28-29-27-19)25-20(30)24-16-9-14(22)8-15(23)10-16/h1-10H,(H2,24,25,30)(H,26,27,28,29)
InChIKeyOIWJQMZHVFTYCF-UHFFFAOYSA-N
XLogP5.11
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.81
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide
CID 10069617
4-[4-[(3,5-difluorophenyl)carbamoylamino]-2-(2H-tetrazol-5-yl)phenyl]benzamide
CID 69451323
1-[2,4-dichloro-6-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea
CID 10452652
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)phenyl]urea
CID 11168394
1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 10407640
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
4-[4-[(4-methoxyphenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylbenzamide
CID 11619480
1-[2-[bis(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(4-chloro-2,6-difluorophenyl)urea
CID 121469174
1-(2-chlorophenyl)-3-[4-(piperidine-1-carbonyl)-2-(2H-tetrazol-5-yl)phenyl]urea
CID 10071086
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
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-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea (CID 11189524) is 1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea is O=C(Nc1cc(F)cc(F)c1)Nc1ccc(-c2ccc(Cl)cc2)cc1-c1nn[nH]n1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea?
The InChIKey is OIWJQMZHVFTYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N6O/c21-13-4-1-11(2-5-13)12-3-6-18(17(7-12)19-26-28-29-27-19)25-20(30)24-16-9-14(22)8-15(23)10-16/h1-10H,(H2,24,25,30)(H,26,27,28,29).
What are the key properties of 1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea?
1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea has a molecular weight of 426.81 g/mol, XLogP of 5.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-difluorophenyl)urea is sourced from PubChem (CID 11189524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).