(2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide

C20H17ClFNO2 — CID 29227566

IUPAC(2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3cccc(Cl)c3F)ccc2c1
InChIInChI=1S/C20H17ClFNO2/c1-12(20(24)23-18-5-3-4-17(21)19(18)22)13-6-7-15-11-16(25-2)9-8-14(15)10-13/h3-12H,1-2H3,(H,23,24)/t12-/m0/s1
InChIKeyOPKIEPHIHGKFKI-LBPRGKRZSA-N
MW357.81 g/mol
LogP5.38
Rot. Bonds4

About (2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 29227566) has the molecular formula C20H17ClFNO2 and a molecular weight of 357.81 g/mol. Its IUPAC name is (2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID29227566
Molecular FormulaC20H17ClFNO2
Molecular Weight357.81 g/mol
Exact Mass357.09
IUPAC Name(2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3cccc(Cl)c3F)ccc2c1
InChIInChI=1S/C20H17ClFNO2/c1-12(20(24)23-18-5-3-4-17(21)19(18)22)13-6-7-15-11-16(25-2)9-8-14(15)10-13/h3-12H,1-2H3,(H,23,24)/t12-/m0/s1
InChIKeyOPKIEPHIHGKFKI-LBPRGKRZSA-N
XLogP5.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.81
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 54790110
N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55363194
N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54790136
(2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9118488
(2S)-N-[1-(2-fluorophenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 24545440
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 26689476
N-(4-fluoro-3-nitrophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 72684236

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide (CID 29227566) is (2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc([C@H](C)C(=O)Nc3cccc(Cl)c3F)ccc2c1.
What is the InChIKey of (2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is OPKIEPHIHGKFKI-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17ClFNO2/c1-12(20(24)23-18-5-3-4-17(21)19(18)22)13-6-7-15-11-16(25-2)9-8-14(15)10-13/h3-12H,1-2H3,(H,23,24)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 357.81 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-2-fluorophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 29227566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).