2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide

C13H19ClN2O — CID 81352154

IUPAC2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-4-15-13(17)10(3)16-9(2)11-5-7-12(14)8-6-11/h5-10,16H,4H2,1-3H3,(H,15,17)/t9-,10?/m1/s1
InChIKeyYRIOJOPFAHYANL-YHMJZVADSA-N
MW254.76 g/mol
LogP2.52
Rot. Bonds5

About 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide (PubChem CID 81352154) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
PubChem CID81352154
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-4-15-13(17)10(3)16-9(2)11-5-7-12(14)8-6-11/h5-10,16H,4H2,1-3H3,(H,15,17)/t9-,10?/m1/s1
InChIKeyYRIOJOPFAHYANL-YHMJZVADSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
N-butan-2-yl-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]propanamide
CID 81352053
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81353387
2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide
CID 81301009
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81354478
N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361243
2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 43226780
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 43226363
N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347825
2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226787

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide (CID 81352154) is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)N[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide?
The InChIKey is YRIOJOPFAHYANL-YHMJZVADSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-15-13(17)10(3)16-9(2)11-5-7-12(14)8-6-11/h5-10,16H,4H2,1-3H3,(H,15,17)/t9-,10?/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide?
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide has a molecular weight of 254.76 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 81352154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).