N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

C18H19ClFNO4 — CID 2683148

IUPACN-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C18H19ClFNO4/c1-23-15-8-11(9-16(24-2)18(15)25-3)4-7-17(22)21-12-5-6-14(20)13(19)10-12/h5-6,8-10H,4,7H2,1-3H3,(H,21,22)
InChIKeyXHVXTTKJDZHPCQ-UHFFFAOYSA-N
MW367.80 g/mol
LogP4.08
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2683148) has the molecular formula C18H19ClFNO4 and a molecular weight of 367.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2683148
Molecular FormulaC18H19ClFNO4
Molecular Weight367.80 g/mol
Exact Mass367.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C18H19ClFNO4/c1-23-15-8-11(9-16(24-2)18(15)25-3)4-7-17(22)21-12-5-6-14(20)13(19)10-12/h5-6,8-10H,4,7H2,1-3H3,(H,21,22)
InChIKeyXHVXTTKJDZHPCQ-UHFFFAOYSA-N
XLogP4.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(2,3-dimethoxyphenyl)propanamide
CID 9404697
N-(2,5-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2711396
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
N-(2-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710290
N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2665681
3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,4-dichlorophenyl)propanamide
CID 51057579
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
1,2,3-trimethoxy-5-[3-oxo-3-[4-(sulfinoamino)anilino]propyl]benzene
CID 153265603
N-(3,4-dichlorophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042527
N-(4-bromo-3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28580588

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 2683148) is N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is XHVXTTKJDZHPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO4/c1-23-15-8-11(9-16(24-2)18(15)25-3)4-7-17(22)21-12-5-6-14(20)13(19)10-12/h5-6,8-10H,4,7H2,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 367.80 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2683148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).