1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide

C19H19F2NO3 — CID 145380655

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide
SMILESC=C(/C=C\C(C)=C/C)NC(=O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C19H19F2NO3/c1-4-12(2)5-6-13(3)22-17(23)18(9-10-18)14-7-8-15-16(11-14)25-19(20,21)24-15/h4-8,11H,3,9-10H2,1-2H3,(H,22,23)/b6-5-,12-4-
InChIKeyGMKIVHCNKCNIBD-RSNHHAHHSA-N
MW347.36 g/mol
LogP4.19
Rot. Bonds5

About 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide (PubChem CID 145380655) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide
PubChem CID145380655
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide
SMILESC=C(/C=C\C(C)=C/C)NC(=O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1
InChIInChI=1S/C19H19F2NO3/c1-4-12(2)5-6-13(3)22-17(23)18(9-10-18)14-7-8-15-16(11-14)25-19(20,21)24-15/h4-8,11H,3,9-10H2,1-2H3,(H,22,23)/b6-5-,12-4-
InChIKeyGMKIVHCNKCNIBD-RSNHHAHHSA-N
XLogP4.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-iodoethanone
CID 88899532
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CID 87555366
N-(6-chloro-5-methyl-2-pyridinyl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 59165796
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CID 121308098
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(2R,4S,6R)-2-methyl-6-phenyloxan-4-yl]cyclopropane-1-carboxamide
CID 121308099
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;methane
CID 161410160
1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile;1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
CID 69117095
4-[5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzoic acid
CID 59206759
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[3-(4-ethoxyphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206955
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]-5-methyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 143872769
(2R,4S)-4-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-7-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 121301389
3-[4-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-6-phenyloxan-2-yl]benzoic acid
CID 135313390

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide (CID 145380655) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide is C=C(/C=C\C(C)=C/C)NC(=O)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.
What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide?
The InChIKey is GMKIVHCNKCNIBD-RSNHHAHHSA-N. The full InChI is InChI=1S/C19H19F2NO3/c1-4-12(2)5-6-13(3)22-17(23)18(9-10-18)14-7-8-15-16(11-14)25-19(20,21)24-15/h4-8,11H,3,9-10H2,1-2H3,(H,22,23)/b6-5-,12-4-.
What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide has a molecular weight of 347.36 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 145380655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).