[2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone

C22H16ClN5O — CID 10363707

IUPAC[2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1N/C=C\c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClN5O/c23-17-10-12-18(13-11-17)28-21(25-26-27-28)14-15-24-20-9-5-4-8-19(20)22(29)16-6-2-1-3-7-16/h1-15,24H/b15-14-
InChIKeyDMAHLQQLFTVHDH-PFONDFGASA-N
MW401.86 g/mol
LogP4.63
Rot. Bonds6

About [2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone

[2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone (PubChem CID 10363707) has the molecular formula C22H16ClN5O and a molecular weight of 401.86 g/mol. Its IUPAC name is [2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone
PubChem CID10363707
Molecular FormulaC22H16ClN5O
Molecular Weight401.86 g/mol
Exact Mass401.10
IUPAC Name[2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1N/C=C\c1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClN5O/c23-17-10-12-18(13-11-17)28-21(25-26-27-28)14-15-24-20-9-5-4-8-19(20)22(29)16-6-2-1-3-7-16/h1-15,24H/b15-14-
InChIKeyDMAHLQQLFTVHDH-PFONDFGASA-N
XLogP4.63
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

[2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]phenyl]-phenylmethanone
CID 2729156
methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
CID 10043795
2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid
CID 74520995
[4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone
CID 6040171
2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile
CID 2729593
1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 10403670
1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 20786923
(E)-3-[1-(4-chlorophenyl)tetrazol-5-yl]prop-2-enoic acid
CID 82366571
N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]-4-chloroaniline
CID 20786906
4-bromo-N-[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]aniline
CID 5366938
2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline
CID 2817361
1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone
CID 4592804

Frequently Asked Questions

What is the IUPAC name of [2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone?
The IUPAC name of [2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone (CID 10363707) is [2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone?
The canonical SMILES for [2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1N/C=C\c1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of [2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone?
The InChIKey is DMAHLQQLFTVHDH-PFONDFGASA-N. The full InChI is InChI=1S/C22H16ClN5O/c23-17-10-12-18(13-11-17)28-21(25-26-27-28)14-15-24-20-9-5-4-8-19(20)22(29)16-6-2-1-3-7-16/h1-15,24H/b15-14-.
What are the key properties of [2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone?
[2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone has a molecular weight of 401.86 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone is sourced from PubChem (CID 10363707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).