(E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide

C13H14ClN5O — CID 960270

IUPAC(E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide
SMILESCCCn1nnnc1NC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN5O/c1-2-9-19-13(16-17-18-19)15-12(20)8-5-10-3-6-11(14)7-4-10/h3-8H,2,9H2,1H3,(H,15,16,18,20)/b8-5+
InChIKeyUCSVORTWPVPDIT-VMPITWQZSA-N
MW291.74 g/mol
LogP2.39
Rot. Bonds5

About (E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide (PubChem CID 960270) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide
PubChem CID960270
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name(E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide
SMILESCCCn1nnnc1NC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN5O/c1-2-9-19-13(16-17-18-19)15-12(20)8-5-10-3-6-11(14)7-4-10/h3-8H,2,9H2,1H3,(H,15,16,18,20)/b8-5+
InChIKeyUCSVORTWPVPDIT-VMPITWQZSA-N
XLogP2.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-propan-2-ylphenyl)-N-[(1-propyltetrazol-5-yl)carbamothioyl]prop-2-enamide
CID 6384588
(E)-3-(4-chlorophenyl)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 19211888
(E)-N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 18915204
N-(4-butylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4090425
2-chloro-N-[(1-propyltetrazol-5-yl)carbamothioyl]benzamide
CID 960258
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487
(E)-3-(4-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 6289125
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide (CID 960270) is (E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide is CCCn1nnnc1NC(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide?
The InChIKey is UCSVORTWPVPDIT-VMPITWQZSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-2-9-19-13(16-17-18-19)15-12(20)8-5-10-3-6-11(14)7-4-10/h3-8H,2,9H2,1H3,(H,15,16,18,20)/b8-5+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide has a molecular weight of 291.74 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(1-propyltetrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 960270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).