N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide

C19H18ClNO3 — CID 55967091

IUPACN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C(=O)c1cccc2c1OCO2)C1CC1
InChIInChI=1S/C19H18ClNO3/c1-12(13-5-7-14(20)8-6-13)21(15-9-10-15)19(22)16-3-2-4-17-18(16)24-11-23-17/h2-8,12,15H,9-11H2,1H3
InChIKeyMRUHDDGWESKXSP-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.43
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide

N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide (PubChem CID 55967091) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide
PubChem CID55967091
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C(=O)c1cccc2c1OCO2)C1CC1
InChIInChI=1S/C19H18ClNO3/c1-12(13-5-7-14(20)8-6-13)21(15-9-10-15)19(22)16-3-2-4-17-18(16)24-11-23-17/h2-8,12,15H,9-11H2,1H3
InChIKeyMRUHDDGWESKXSP-UHFFFAOYSA-N
XLogP4.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-1,3-benzodioxole-4-carboxamide
CID 55820520
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide
CID 71684755
(4-chlorophenyl) 1,3-benzodioxole-4-carboxylate
CID 55861825
N-methyl-N-(3-methylbutyl)-1,3-benzodioxole-4-carboxamide
CID 87020392
2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide
CID 78852811
N-[3-(4-chlorophenoxy)propyl]-N-methyl-1,3-benzodioxole-4-carboxamide
CID 55898097
N-[2-(4-chlorophenyl)-2-methylpropyl]-1,3-benzodioxole-4-carboxamide
CID 55902915
N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 51956049
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 75872095
N-[3-[1-(4-chlorophenyl)ethyl-cyclopropylamino]-3-oxopropyl]furan-2-carboxamide
CID 55593629
1,3-benzodioxole-4-carboxylate
CID 6946476
N-[(3-bromophenyl)methyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide
CID 55858537

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide (CID 55967091) is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide is CC(c1ccc(Cl)cc1)N(C(=O)c1cccc2c1OCO2)C1CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide?
The InChIKey is MRUHDDGWESKXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-12(13-5-7-14(20)8-6-13)21(15-9-10-15)19(22)16-3-2-4-17-18(16)24-11-23-17/h2-8,12,15H,9-11H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1,3-benzodioxole-4-carboxamide is sourced from PubChem (CID 55967091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).