(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide

C22H22ClNO — CID 100508937

IUPAC(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
SMILESC[C@@H](Cc1cccc2ccccc12)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C22H22ClNO/c1-16(15-19-7-4-6-18-5-2-3-8-21(18)19)22(25)24-14-13-17-9-11-20(23)12-10-17/h2-12,16H,13-15H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyNOTKDWYAKGUWRJ-INIZCTEOSA-N
MW351.88 g/mol
LogP5.03
Rot. Bonds6

About (2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide

(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide (PubChem CID 100508937) has the molecular formula C22H22ClNO and a molecular weight of 351.88 g/mol. Its IUPAC name is (2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
PubChem CID100508937
Molecular FormulaC22H22ClNO
Molecular Weight351.88 g/mol
Exact Mass351.14
IUPAC Name(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
SMILESC[C@@H](Cc1cccc2ccccc12)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C22H22ClNO/c1-16(15-19-7-4-6-18-5-2-3-8-21(18)19)22(25)24-14-13-17-9-11-20(23)12-10-17/h2-12,16H,13-15H2,1H3,(H,24,25)/t16-/m0/s1
InChIKeyNOTKDWYAKGUWRJ-INIZCTEOSA-N
XLogP5.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.88
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 18917772
(2R)-2-amino-3-naphthalen-1-yl-N-(2-phenylethyl)propanamide
CID 70832631
2-methyl-3-naphthalen-1-yl-N-(2-phenylmethoxyethyl)propanamide
CID 133202094
3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110298815
(2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100509329
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)-2-methylpropanamide
CID 110307160
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide
CID 92864169
2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833
N-[(2S)-4-(4-chlorophenyl)-1-oxo-1-(3-phenylpropylamino)butan-2-yl]naphthalene-1-carboxamide
CID 155427764

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide?
The IUPAC name of (2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide (CID 100508937) is (2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide is C[C@@H](Cc1cccc2ccccc12)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide?
The InChIKey is NOTKDWYAKGUWRJ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22ClNO/c1-16(15-19-7-4-6-18-5-2-3-8-21(18)19)22(25)24-14-13-17-9-11-20(23)12-10-17/h2-12,16H,13-15H2,1H3,(H,24,25)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide?
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide has a molecular weight of 351.88 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-chlorophenyl)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide is sourced from PubChem (CID 100508937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).