(Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide

C19H16Cl2FN5O — CID 47018817

IUPAC(Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide
SMILESCc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C19H16Cl2FN5O/c1-12-23-24-25-27(12)17(10-13-6-8-15(22)9-7-13)19(28)26(2)11-14-4-3-5-16(20)18(14)21/h3-10H,11H2,1-2H3/b17-10-
InChIKeyALBXBUUTKXJJLA-YVLHZVERSA-N
MW420.28 g/mol
LogP4.08
Rot. Bonds5

About (Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide

(Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide (PubChem CID 47018817) has the molecular formula C19H16Cl2FN5O and a molecular weight of 420.28 g/mol. Its IUPAC name is (Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide
PubChem CID47018817
Molecular FormulaC19H16Cl2FN5O
Molecular Weight420.28 g/mol
Exact Mass419.07
IUPAC Name(Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide
SMILESCc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C19H16Cl2FN5O/c1-12-23-24-25-27(12)17(10-13-6-8-15(22)9-7-13)19(28)26(2)11-14-4-3-5-16(20)18(14)21/h3-10H,11H2,1-2H3/b17-10-
InChIKeyALBXBUUTKXJJLA-YVLHZVERSA-N
XLogP4.08
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.28
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-fluorophenyl)methyl (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7556916
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 30510035
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 61113902
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29415782
naphthalen-1-ylmethyl (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7908880
(Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7363983
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-N-methylacetamide
CID 103600531
(2-phenoxyphenyl)methyl (Z)-2-(5-methyltetrazol-1-yl)-3-phenylprop-2-enoate
CID 7556835
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 43053428
1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[4-(tetrazol-1-yl)phenyl]urea
CID 55695253
N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722736

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide?
The IUPAC name of (Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide (CID 47018817) is (Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide is Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N(C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of (Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide?
The InChIKey is ALBXBUUTKXJJLA-YVLHZVERSA-N. The full InChI is InChI=1S/C19H16Cl2FN5O/c1-12-23-24-25-27(12)17(10-13-6-8-15(22)9-7-13)19(28)26(2)11-14-4-3-5-16(20)18(14)21/h3-10H,11H2,1-2H3/b17-10-.
What are the key properties of (Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide?
(Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide has a molecular weight of 420.28 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2,3-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-(5-methyltetrazol-1-yl)prop-2-enamide is sourced from PubChem (CID 47018817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).