2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide

C15H17ClN2O — CID 167984225

IUPAC2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide
SMILESCC(NC(C)c1ccc(Cl)c2ccccc12)C(N)=O
InChIInChI=1S/C15H17ClN2O/c1-9(18-10(2)15(17)19)11-7-8-14(16)13-6-4-3-5-12(11)13/h3-10,18H,1-2H3,(H2,17,19)
InChIKeyOEPUQSULGMSOSI-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.02
Rot. Bonds4

About 2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide

2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide (PubChem CID 167984225) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide.

Molecular Properties

Compound Name2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide
PubChem CID167984225
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide
SMILESCC(NC(C)c1ccc(Cl)c2ccccc12)C(N)=O
InChIInChI=1S/C15H17ClN2O/c1-9(18-10(2)15(17)19)11-7-8-14(16)13-6-4-3-5-12(11)13/h3-10,18H,1-2H3,(H2,17,19)
InChIKeyOEPUQSULGMSOSI-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanamide
CID 81375516
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
methyl 2-[1-(2,3,4-trichlorophenyl)ethylamino]propanoate
CID 60781951
4-(4-chloronaphthalen-1-yl)pentanoic acid
CID 113306220
2-[1-(2,4-dihydroxyphenyl)ethylamino]propanamide
CID 43545402
2-[1-(2,6-dihydroxyphenyl)ethylamino]propanamide
CID 107710565
2-[1-(4-phenylphenyl)ethylamino]propanamide
CID 43398020
(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132458
(2R)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132466
2-[1-(2-chlorophenyl)ethylamino]butanamide
CID 62899850
(2R)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-methylpropanamide
CID 9410224
ethyl 2-[1-(2,3,4-trichlorophenyl)ethylamino]propanoate
CID 61498523

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide?
The IUPAC name of 2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide (CID 167984225) is 2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide.
What is the SMILES notation for 2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide?
The canonical SMILES for 2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide is CC(NC(C)c1ccc(Cl)c2ccccc12)C(N)=O.
What is the InChIKey of 2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide?
The InChIKey is OEPUQSULGMSOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9(18-10(2)15(17)19)11-7-8-14(16)13-6-4-3-5-12(11)13/h3-10,18H,1-2H3,(H2,17,19).
What are the key properties of 2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide?
2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide has a molecular weight of 276.77 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloronaphthalen-1-yl)ethylamino]propanamide is sourced from PubChem (CID 167984225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).