N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide

C18H19Cl2NO3 — CID 113222065

IUPACN-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCOc1ccc(Cl)c(Cl)c1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H19Cl2NO3/c19-16-7-6-15(12-17(16)20)24-11-8-18(23)21(9-10-22)13-14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2
InChIKeyJADUTBLOYJRHNO-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.78
Rot. Bonds8

About N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide

N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide (PubChem CID 113222065) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
PubChem CID113222065
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC NameN-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCOc1ccc(Cl)c(Cl)c1)N(CCO)Cc1ccccc1
InChIInChI=1S/C18H19Cl2NO3/c19-16-7-6-15(12-17(16)20)24-11-8-18(23)21(9-10-22)13-14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2
InChIKeyJADUTBLOYJRHNO-UHFFFAOYSA-N
XLogP3.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
2-[3-(3,4-dichlorophenoxy)propanoyl-prop-2-ynylamino]acetic acid
CID 79271413
N-benzyl-4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112729241
6-[benzyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 60948107
4-(3,4-dichlorophenoxy)-1-hydroxybutan-2-one
CID 95459695
2-[5-[2-chloro-5-(4-phenylbutoxy)phenyl]pentanoyl-[(4-methoxyphenyl)methyl]amino]ethyl dihydrogen phosphate
CID 168720688
3-(3-chlorophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103857303
N-benzyl-3-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)oxirane-2-carboxamide
CID 86663862
N-benzyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79205106
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
CID 18387334
2-[[[(2R)-1-aminopropan-2-yl]-[[2-[2-[2-chloro-4-(2-hydroxyethoxy)phenyl]-2-oxoethyl]phenyl]methyl]carbamoyl]amino]-N-benzyl-N-(2-hydroxyethyl)acetamide
CID 143300879
N-benzyl-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
CID 18387292

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide (CID 113222065) is N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide is O=C(CCOc1ccc(Cl)c(Cl)c1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide?
The InChIKey is JADUTBLOYJRHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c19-16-7-6-15(12-17(16)20)24-11-8-18(23)21(9-10-22)13-14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2.
What are the key properties of N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide?
N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide has a molecular weight of 368.26 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 113222065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).