N-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide

C29H33ClFNO2 — CID 3850088

IUPACN-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide
SMILESCCC(=O)N(CCC(c1ccc(F)cc1)c1ccc(OC(C)C)cc1)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C29H33ClFNO2/c1-5-29(33)32(21(4)22-6-12-25(30)13-7-22)19-18-28(23-8-14-26(31)15-9-23)24-10-16-27(17-11-24)34-20(2)3/h6-17,20-21,28H,5,18-19H2,1-4H3
InChIKeySBZRWTHECJAYBU-UHFFFAOYSA-N
MW482.04 g/mol
LogP7.79
Rot. Bonds10

About N-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide

N-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide (PubChem CID 3850088) has the molecular formula C29H33ClFNO2 and a molecular weight of 482.04 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide
PubChem CID3850088
Molecular FormulaC29H33ClFNO2
Molecular Weight482.04 g/mol
Exact Mass481.22
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide
SMILESCCC(=O)N(CCC(c1ccc(F)cc1)c1ccc(OC(C)C)cc1)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C29H33ClFNO2/c1-5-29(33)32(21(4)22-6-12-25(30)13-7-22)19-18-28(23-8-14-26(31)15-9-23)24-10-16-27(17-11-24)34-20(2)3/h6-17,20-21,28H,5,18-19H2,1-4H3
InChIKeySBZRWTHECJAYBU-UHFFFAOYSA-N
XLogP7.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.04
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-N-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 41095359
1-chloro-4-[1-(4-fluorophenyl)butyl]benzene
CID 143326829
ethyl N-(2-aminoethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
CID 124908313
N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 3841014
2-(4-chlorophenyl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 82160569
1-[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]pyrrolidine-2,5-dione
CID 2047574
[(3R)-3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-[(1S)-1-thiophen-2-ylethyl]azanium
CID 7707419
N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4649390
N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 25426230
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
[(1S)-1-(4-chlorophenyl)ethyl]-[(3R)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propyl]azanium
CID 2045527
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
CID 5032799

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide (CID 3850088) is N-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide is CCC(=O)N(CCC(c1ccc(F)cc1)c1ccc(OC(C)C)cc1)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The InChIKey is SBZRWTHECJAYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClFNO2/c1-5-29(33)32(21(4)22-6-12-25(30)13-7-22)19-18-28(23-8-14-26(31)15-9-23)24-10-16-27(17-11-24)34-20(2)3/h6-17,20-21,28H,5,18-19H2,1-4H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide?
N-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide has a molecular weight of 482.04 g/mol, XLogP of 7.79, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide is sourced from PubChem (CID 3850088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).