N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide

C18H19ClN2O3 — CID 51242254

IUPACN-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19ClN2O3/c1-11-14(19)4-3-5-15(11)21-18(22)12(2)20-13-6-7-16-17(10-13)24-9-8-23-16/h3-7,10,12,20H,8-9H2,1-2H3,(H,21,22)
InChIKeyDNGAZJOVUOYBMJ-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.86
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide

N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide (PubChem CID 51242254) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
PubChem CID51242254
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
SMILESCc1c(Cl)cccc1NC(=O)C(C)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H19ClN2O3/c1-11-14(19)4-3-5-15(11)21-18(22)12(2)20-13-6-7-16-17(10-13)24-9-8-23-16/h3-7,10,12,20H,8-9H2,1-2H3,(H,21,22)
InChIKeyDNGAZJOVUOYBMJ-UHFFFAOYSA-N
XLogP3.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N'-(3-chloro-2-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108955118
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 7775065
1-N-(3-chloro-2-methylphenyl)-2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,2-dicarboxamide
CID 109143023
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242253
2-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26417495
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242256
N-(3-chloro-2-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109221115
2-(1,3-benzodioxol-5-ylamino)-N-(3-chloro-2-methylphenyl)acetamide
CID 109008524
N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-4-carboxamide
CID 109317097
N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 42935089
(2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide
CID 32509495
2-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carboxamide
CID 109268988

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide (CID 51242254) is N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide is Cc1c(Cl)cccc1NC(=O)C(C)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide?
The InChIKey is DNGAZJOVUOYBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11-14(19)4-3-5-15(11)21-18(22)12(2)20-13-6-7-16-17(10-13)24-9-8-23-16/h3-7,10,12,20H,8-9H2,1-2H3,(H,21,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide?
N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide has a molecular weight of 346.81 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide is sourced from PubChem (CID 51242254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).