7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide

C18H15ClFNO3 — CID 34577677

IUPAC7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(c1cc(Cl)c2c(c1)OCO2)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H15ClFNO3/c19-14-7-12(8-16-17(14)24-10-23-16)18(22)21(13-5-6-13)9-11-3-1-2-4-15(11)20/h1-4,7-8,13H,5-6,9-10H2
InChIKeyMULPDWAOSFDOIX-UHFFFAOYSA-N
MW347.77 g/mol
LogP4.01
Rot. Bonds4

About 7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide

7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 34577677) has the molecular formula C18H15ClFNO3 and a molecular weight of 347.77 g/mol. Its IUPAC name is 7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID34577677
Molecular FormulaC18H15ClFNO3
Molecular Weight347.77 g/mol
Exact Mass347.07
IUPAC Name7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(c1cc(Cl)c2c(c1)OCO2)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H15ClFNO3/c19-14-7-12(8-16-17(14)24-10-23-16)18(22)21(13-5-6-13)9-11-3-1-2-4-15(11)20/h1-4,7-8,13H,5-6,9-10H2
InChIKeyMULPDWAOSFDOIX-UHFFFAOYSA-N
XLogP4.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 103803267
7-chloro-N'-(2-fluorobenzoyl)-1,3-benzodioxole-5-carbohydrazide
CID 9427736
1-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]isoquinoline-3-carboxamide
CID 55621998
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013693
7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide
CID 30756448
3-(2-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 126801006
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
6-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 103874178
4-[4-[cyclopropyl-[(2-fluorophenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545378
7-chloro-N-ethyl-N-(4-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 51198670
3-(cyclopropanecarbonylamino)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]benzamide
CID 34577765
4-acetyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 24560758

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide (CID 34577677) is 7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide is O=C(c1cc(Cl)c2c(c1)OCO2)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is MULPDWAOSFDOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO3/c19-14-7-12(8-16-17(14)24-10-23-16)18(22)21(13-5-6-13)9-11-3-1-2-4-15(11)20/h1-4,7-8,13H,5-6,9-10H2.
What are the key properties of 7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide?
7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 347.77 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 34577677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).