1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one

C22H22ClNO2 — CID 141212870

IUPAC1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one
SMILESCOc1ccc2cc(CCC(=O)CC(N)c3ccc(Cl)cc3)ccc2c1
InChIInChI=1S/C22H22ClNO2/c1-26-21-11-7-17-12-15(2-4-18(17)13-21)3-10-20(25)14-22(24)16-5-8-19(23)9-6-16/h2,4-9,11-13,22H,3,10,14,24H2,1H3
InChIKeyQTXWRVLHSKQBNY-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.09
Rot. Bonds7

About 1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one

1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one (PubChem CID 141212870) has the molecular formula C22H22ClNO2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one.

Molecular Properties

Compound Name1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one
PubChem CID141212870
Molecular FormulaC22H22ClNO2
Molecular Weight367.88 g/mol
Exact Mass367.13
IUPAC Name1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one
SMILESCOc1ccc2cc(CCC(=O)CC(N)c3ccc(Cl)cc3)ccc2c1
InChIInChI=1S/C22H22ClNO2/c1-26-21-11-7-17-12-15(2-4-18(17)13-21)3-10-20(25)14-22(24)16-5-8-19(23)9-6-16/h2,4-9,11-13,22H,3,10,14,24H2,1H3
InChIKeyQTXWRVLHSKQBNY-UHFFFAOYSA-N
XLogP5.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(6-methoxynaphthalen-2-yl)-3-oxopentanoate
CID 66687162
(3R)-3-amino-3-(6-methoxynaphthalen-2-yl)propanamide
CID 29060145
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
1-(5-chloro-2-fluorophenyl)-4-(4-methoxyphenyl)butan-2-one
CID 103052515
(2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 46656893
4-[[1-(3,4-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-3-oxopentyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 46239723
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
5-(6-methoxynaphthalen-2-yl)-2-oxopentanoic acid
CID 68746310
4-[[1-(1,3-benzodioxol-5-yl)-5-(6-methoxynaphthalen-2-yl)-3-oxopentyl]amino]benzenesulfonamide
CID 46872529
3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 82366864
ethyl 4-[[5-(6-methoxynaphthalen-2-yl)-1-(3-methylphenyl)-3-oxopentyl]amino]benzoate
CID 46239422

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one?
The IUPAC name of 1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one (CID 141212870) is 1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one.
What is the SMILES notation for 1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one?
The canonical SMILES for 1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one is COc1ccc2cc(CCC(=O)CC(N)c3ccc(Cl)cc3)ccc2c1.
What is the InChIKey of 1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one?
The InChIKey is QTXWRVLHSKQBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2/c1-26-21-11-7-17-12-15(2-4-18(17)13-21)3-10-20(25)14-22(24)16-5-8-19(23)9-6-16/h2,4-9,11-13,22H,3,10,14,24H2,1H3.
What are the key properties of 1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one?
1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one has a molecular weight of 367.88 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-chlorophenyl)-5-(6-methoxynaphthalen-2-yl)pentan-3-one is sourced from PubChem (CID 141212870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).