N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide

C19H23ClN2O — CID 109027923

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide
SMILESCCc1ccccc1NCCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c1-2-16-5-3-4-6-18(16)21-14-12-19(23)22-13-11-15-7-9-17(20)10-8-15/h3-10,21H,2,11-14H2,1H3,(H,22,23)
InChIKeyXKPPNIFOUGWRKD-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.06
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide

N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide (PubChem CID 109027923) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide
PubChem CID109027923
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide
SMILESCCc1ccccc1NCCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C19H23ClN2O/c1-2-16-5-3-4-6-18(16)21-14-12-19(23)22-13-11-15-7-9-17(20)10-8-15/h3-10,21H,2,11-14H2,1H3,(H,22,23)
InChIKeyXKPPNIFOUGWRKD-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(2-ethylanilino)propanamide
CID 109021695
3-(2-bromoanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027975
N-[2-(4-chlorophenyl)ethyl]-3-(2,3-dichloroanilino)propanamide
CID 109027992
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
3-(4-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 109027936
N-benzyl-3-(2-ethylanilino)propanamide
CID 109018815
N-[2-(4-chlorophenyl)ethyl]-3-(ethylamino)propanamide
CID 62836136
3-(2-ethylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021070
N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide
CID 109036245
3-(2,6-diethylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109024995
N-[2-(4-chlorophenyl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide
CID 109002951
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide (CID 109027923) is N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide is CCc1ccccc1NCCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide?
The InChIKey is XKPPNIFOUGWRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-2-16-5-3-4-6-18(16)21-14-12-19(23)22-13-11-15-7-9-17(20)10-8-15/h3-10,21H,2,11-14H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide has a molecular weight of 330.86 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylanilino)propanamide is sourced from PubChem (CID 109027923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).