(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide

C22H21BrN2O3 — CID 17434958

IUPAC(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NCC(=O)Nc3ccccc3Br)ccc2c1
InChIInChI=1S/C22H21BrN2O3/c1-14(15-7-8-17-12-18(28-2)10-9-16(17)11-15)22(27)24-13-21(26)25-20-6-4-3-5-19(20)23/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,26)/t14-/m0/s1
InChIKeyYFRCETLDDZYRNH-AWEZNQCLSA-N
MW441.33 g/mol
LogP4.47
Rot. Bonds6

About (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 17434958) has the molecular formula C22H21BrN2O3 and a molecular weight of 441.33 g/mol. Its IUPAC name is (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID17434958
Molecular FormulaC22H21BrN2O3
Molecular Weight441.33 g/mol
Exact Mass440.07
IUPAC Name(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NCC(=O)Nc3ccccc3Br)ccc2c1
InChIInChI=1S/C22H21BrN2O3/c1-14(15-7-8-17-12-18(28-2)10-9-16(17)11-15)22(27)24-13-21(26)25-20-6-4-3-5-19(20)23/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,26)/t14-/m0/s1
InChIKeyYFRCETLDDZYRNH-AWEZNQCLSA-N
XLogP4.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951836
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide
CID 33145427
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 119505947
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-nitroanilino)ethyl]propanamide
CID 9278840
(2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 47066845
(2S)-N-(2-benzylsulfanylethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9470322

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide (CID 17434958) is (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc([C@H](C)C(=O)NCC(=O)Nc3ccccc3Br)ccc2c1.
What is the InChIKey of (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is YFRCETLDDZYRNH-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21BrN2O3/c1-14(15-7-8-17-12-18(28-2)10-9-16(17)11-15)22(27)24-13-21(26)25-20-6-4-3-5-19(20)23/h3-12,14H,13H2,1-2H3,(H,24,27)(H,25,26)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 441.33 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 17434958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).