N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide

C19H20Cl2FNO3 — CID 112823604

IUPACN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(COC(C)C(=O)NC(C)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2FNO3/c1-11(15-8-18(22)17(21)9-16(15)20)23-19(24)12(2)26-10-13-5-4-6-14(7-13)25-3/h4-9,11-12H,10H2,1-3H3,(H,23,24)
InChIKeyIWARBXICVYLGCU-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.92
Rot. Bonds7

About N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide (PubChem CID 112823604) has the molecular formula C19H20Cl2FNO3 and a molecular weight of 400.28 g/mol. Its IUPAC name is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide.

Molecular Properties

Compound NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
PubChem CID112823604
Molecular FormulaC19H20Cl2FNO3
Molecular Weight400.28 g/mol
Exact Mass399.08
IUPAC NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(COC(C)C(=O)NC(C)c2cc(F)c(Cl)cc2Cl)c1
InChIInChI=1S/C19H20Cl2FNO3/c1-11(15-8-18(22)17(21)9-16(15)20)23-19(24)12(2)26-10-13-5-4-6-14(7-13)25-3/h4-9,11-12H,10H2,1-3H3,(H,23,24)
InChIKeyIWARBXICVYLGCU-UHFFFAOYSA-N
XLogP4.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-chlorophenyl)acetyl]-2-[(3-methoxyphenyl)methoxy]propanehydrazide
CID 46452966
N-[(2,4-dichlorophenyl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 43077370
2-[(3-methoxyphenyl)methoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 86985434
(2S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-4-methylpentanoic acid
CID 119361787
(2S,3S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-3-methylpentanoic acid
CID 119193748
1-[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 9440470
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline
CID 43765572
(2R)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 39927724
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 94024614
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119497040
2-[(3-methoxyphenyl)methoxy]-N-(2-phenoxyphenyl)propanamide
CID 46450815

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide (CID 112823604) is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide.
What is the SMILES notation for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The canonical SMILES for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide is COc1cccc(COC(C)C(=O)NC(C)c2cc(F)c(Cl)cc2Cl)c1.
What is the InChIKey of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The InChIKey is IWARBXICVYLGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FNO3/c1-11(15-8-18(22)17(21)9-16(15)20)23-19(24)12(2)26-10-13-5-4-6-14(7-13)25-3/h4-9,11-12H,10H2,1-3H3,(H,23,24).
What are the key properties of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide has a molecular weight of 400.28 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide is sourced from PubChem (CID 112823604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).