(E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide

C16H10Cl3N5O — CID 25064346

IUPAC(E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1-c1nn[nH]n1
InChIInChI=1S/C16H10Cl3N5O/c17-10-3-4-11(16-21-23-24-22-16)14(8-10)20-15(25)6-2-9-1-5-12(18)13(19)7-9/h1-8H,(H,20,25)(H,21,22,23,24)/b6-2+
InChIKeyMSKGZYOWCMVRKC-QHHAFSJGSA-N
MW394.65 g/mol
LogP4.48
Rot. Bonds4

About (E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide

(E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 25064346) has the molecular formula C16H10Cl3N5O and a molecular weight of 394.65 g/mol. Its IUPAC name is (E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID25064346
Molecular FormulaC16H10Cl3N5O
Molecular Weight394.65 g/mol
Exact Mass393.00
IUPAC Name(E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1-c1nn[nH]n1
InChIInChI=1S/C16H10Cl3N5O/c17-10-3-4-11(16-21-23-24-22-16)14(8-10)20-15(25)6-2-9-1-5-12(18)13(19)7-9/h1-8H,(H,20,25)(H,21,22,23,24)/b6-2+
InChIKeyMSKGZYOWCMVRKC-QHHAFSJGSA-N
XLogP4.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.65
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-Chloro-3-phenyl-4-[2-(1H-tetrazol-5-yl)-ethyl]-1H-quinolin-2-one
CID 10736687
3-(2-(3,4-dichlorophenyl)-2H-tetrazol-5-yl)quinolin-2-ol
CID 135817222
3-chloro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
CID 6465693
3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163668
1-(3,4-dichlorophenyl)-3-[3-(2H-tetrazol-5-yl)phenyl]urea
CID 17180029
4-(tert-butyl)-N-(5-chloro-2-(1H-tetrazol-5-yl)phenyl)benzamide
CID 46916168
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 16123721
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-fluorobenzamide
CID 16123722
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,4-difluorobenzamide
CID 16123723
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2,6-difluorobenzamide
CID 16123724
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 16123825
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-fluorobenzamide
CID 16123828

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide (CID 25064346) is (E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1-c1nn[nH]n1.
What is the InChIKey of (E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is MSKGZYOWCMVRKC-QHHAFSJGSA-N. The full InChI is InChI=1S/C16H10Cl3N5O/c17-10-3-4-11(16-21-23-24-22-16)14(8-10)20-15(25)6-2-9-1-5-12(18)13(19)7-9/h1-8H,(H,20,25)(H,21,22,23,24)/b6-2+.
What are the key properties of (E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide?
(E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 394.65 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 25064346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).