3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide

C16H13Cl2F2NO2 — CID 55609644

IUPAC3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
SMILESO=C(CCOc1ccc(Cl)c(Cl)c1)NCc1cc(F)cc(F)c1
InChIInChI=1S/C16H13Cl2F2NO2/c17-14-2-1-13(8-15(14)18)23-4-3-16(22)21-9-10-5-11(19)7-12(20)6-10/h1-2,5-8H,3-4,9H2,(H,21,22)
InChIKeyDMZNMVVPIHMWFD-UHFFFAOYSA-N
MW360.19 g/mol
LogP4.36
Rot. Bonds6

About 3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide

3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide (PubChem CID 55609644) has the molecular formula C16H13Cl2F2NO2 and a molecular weight of 360.19 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
PubChem CID55609644
Molecular FormulaC16H13Cl2F2NO2
Molecular Weight360.19 g/mol
Exact Mass359.03
IUPAC Name3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide
SMILESO=C(CCOc1ccc(Cl)c(Cl)c1)NCc1cc(F)cc(F)c1
InChIInChI=1S/C16H13Cl2F2NO2/c17-14-2-1-13(8-15(14)18)23-4-3-16(22)21-9-10-5-11(19)7-12(20)6-10/h1-2,5-8H,3-4,9H2,(H,21,22)
InChIKeyDMZNMVVPIHMWFD-UHFFFAOYSA-N
XLogP4.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide
CID 60621030
3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109633
(2S)-3-[3-(3,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107832849
3-(3,4-dichlorophenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 61021525
3-(3-chloro-4-fluorophenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 47043112
4-(3,4-dichlorophenoxy)-1-hydroxybutan-2-one
CID 95459695
3-(3,4-dichlorophenoxy)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
CID 55933060
3-(3,4-dichlorophenyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide
CID 100596570
3-(3,4-dichlorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 107846232
4-[3-(3,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81064443
3-(3,4-dichlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877535
4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2671659

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide?
The IUPAC name of 3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide (CID 55609644) is 3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide is O=C(CCOc1ccc(Cl)c(Cl)c1)NCc1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide?
The InChIKey is DMZNMVVPIHMWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F2NO2/c17-14-2-1-13(8-15(14)18)23-4-3-16(22)21-9-10-5-11(19)7-12(20)6-10/h1-2,5-8H,3-4,9H2,(H,21,22).
What are the key properties of 3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide?
3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide has a molecular weight of 360.19 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenoxy)-N-[(3,5-difluorophenyl)methyl]propanamide is sourced from PubChem (CID 55609644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).