(E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide

C19H17F2N3O3 — CID 34333370

IUPAC(E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)Nn2cnc3ccccc32)ccc1OC(F)F
InChIInChI=1S/C19H17F2N3O3/c1-2-26-17-11-13(7-9-16(17)27-19(20)21)8-10-18(25)23-24-12-22-14-5-3-4-6-15(14)24/h3-12,19H,2H2,1H3,(H,23,25)/b10-8+
InChIKeySESBULQGHVTCJN-CSKARUKUSA-N
MW373.36 g/mol
LogP3.82
Rot. Bonds7

About (E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide

(E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide (PubChem CID 34333370) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is (E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
PubChem CID34333370
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name(E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)Nn2cnc3ccccc32)ccc1OC(F)F
InChIInChI=1S/C19H17F2N3O3/c1-2-26-17-11-13(7-9-16(17)27-19(20)21)8-10-18(25)23-24-12-22-14-5-3-4-6-15(14)24/h3-12,19H,2H2,1H3,(H,23,25)/b10-8+
InChIKeySESBULQGHVTCJN-CSKARUKUSA-N
XLogP3.82
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.82
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)-N-(benzimidazol-1-yl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 34333135
(E)-N-(benzimidazol-1-yl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 34332718
(E)-N-(benzimidazol-1-yl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 34329231
N-(1H-benzimidazol-2-ylmethyl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
CID 78769813
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 16575272
methyl (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoate
CID 71628157
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-pyridin-4-ylprop-2-enamide
CID 39953641
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-phenoxyethyl)prop-2-enamide
CID 33249438
N-(benzimidazol-1-yl)-3,4-diethoxybenzamide
CID 24535717
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(4-fluorophenyl)prop-2-enamide
CID 8744762
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 38573380
(2S)-2-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-N-ethylpropanamide
CID 8752395

Frequently Asked Questions

What is the IUPAC name of (E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide?
The IUPAC name of (E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide (CID 34333370) is (E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide is CCOc1cc(/C=C/C(=O)Nn2cnc3ccccc32)ccc1OC(F)F.
What is the InChIKey of (E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide?
The InChIKey is SESBULQGHVTCJN-CSKARUKUSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-2-26-17-11-13(7-9-16(17)27-19(20)21)8-10-18(25)23-24-12-22-14-5-3-4-6-15(14)24/h3-12,19H,2H2,1H3,(H,23,25)/b10-8+.
What are the key properties of (E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide?
(E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide has a molecular weight of 373.36 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(benzimidazol-1-yl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide is sourced from PubChem (CID 34333370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).