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

C19H20Cl2FNO3 — CID 112764247

IUPACN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C)c2cc(F)c(Cl)cc2Cl)cc1OC
InChIInChI=1S/C19H20Cl2FNO3/c1-11(13-9-16(22)15(21)10-14(13)20)23-19(24)7-5-12-4-6-17(25-2)18(8-12)26-3/h4,6,8-11H,5,7H2,1-3H3,(H,23,24)
InChIKeyKTCXZQZQLAUUQN-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.96
Rot. Bonds7

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

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 112764247) 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]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID112764247
Molecular FormulaC19H20Cl2FNO3
Molecular Weight400.28 g/mol
Exact Mass399.08
IUPAC NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C)c2cc(F)c(Cl)cc2Cl)cc1OC
InChIInChI=1S/C19H20Cl2FNO3/c1-11(13-9-16(22)15(21)10-14(13)20)23-19(24)7-5-12-4-6-17(25-2)18(8-12)26-3/h4,6,8-11H,5,7H2,1-3H3,(H,23,24)
InChIKeyKTCXZQZQLAUUQN-UHFFFAOYSA-N
XLogP4.96
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 ≤ 54.96
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

4-(4-acetyl-2-methoxyphenoxy)-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]butanamide
CID 55738513
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
N-[1-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 42999118
3-(3,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133219990
3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 31948443
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 99949595
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 9478271
2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methylpentanamide
CID 78773055
3-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-(1,3-thiazol-4-yl)butan-2-yl]propanamide
CID 142452076
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 8795213
3-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127122091

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide (CID 112764247) is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NC(C)c2cc(F)c(Cl)cc2Cl)cc1OC.
What is the InChIKey of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is KTCXZQZQLAUUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FNO3/c1-11(13-9-16(22)15(21)10-14(13)20)23-19(24)7-5-12-4-6-17(25-2)18(8-12)26-3/h4,6,8-11H,5,7H2,1-3H3,(H,23,24).
What are the key properties of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 400.28 g/mol, XLogP of 4.96, 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]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 112764247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).