3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide

C19H22ClFN2O3 — CID 109024771

IUPAC3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCOc1cc(NCCC(=O)NCCc2ccccc2F)c(OC)cc1Cl
InChIInChI=1S/C19H22ClFN2O3/c1-25-17-12-16(18(26-2)11-14(17)20)22-10-8-19(24)23-9-7-13-5-3-4-6-15(13)21/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24)
InChIKeyLMOSBNXXBQAVMU-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.66
Rot. Bonds9

About 3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide

3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide (PubChem CID 109024771) has the molecular formula C19H22ClFN2O3 and a molecular weight of 380.85 g/mol. Its IUPAC name is 3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
PubChem CID109024771
Molecular FormulaC19H22ClFN2O3
Molecular Weight380.85 g/mol
Exact Mass380.13
IUPAC Name3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCOc1cc(NCCC(=O)NCCc2ccccc2F)c(OC)cc1Cl
InChIInChI=1S/C19H22ClFN2O3/c1-25-17-12-16(18(26-2)11-14(17)20)22-10-8-19(24)23-9-7-13-5-3-4-6-15(13)21/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24)
InChIKeyLMOSBNXXBQAVMU-UHFFFAOYSA-N
XLogP3.66
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025345
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900136
3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025285
3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024765
3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 109039398
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethylanilino)propanamide
CID 109036248
3-(4-chloro-2-methylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025290
methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109025317
3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021953
N-[2-(2-fluorophenyl)ethyl]-3-(4-propan-2-ylanilino)propanamide
CID 109024697
3-(4-chloro-2,5-dimethoxyanilino)propanamide
CID 43132016
3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46679807

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide (CID 109024771) is 3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide is COc1cc(NCCC(=O)NCCc2ccccc2F)c(OC)cc1Cl.
What is the InChIKey of 3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is LMOSBNXXBQAVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3/c1-25-17-12-16(18(26-2)11-14(17)20)22-10-8-19(24)23-9-7-13-5-3-4-6-15(13)21/h3-6,11-12,22H,7-10H2,1-2H3,(H,23,24).
What are the key properties of 3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide?
3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 380.85 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,5-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 109024771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).