N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide

C21H19ClN2O2 — CID 68513343

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide
SMILESCOc1cc(-c2ccncc2)ccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O2/c1-14(15-3-6-18(22)7-4-15)24-21(25)19-8-5-17(13-20(19)26-2)16-9-11-23-12-10-16/h3-14H,1-2H3,(H,24,25)/t14-/m0/s1
InChIKeyMWYLTVCGPURAAY-AWEZNQCLSA-N
MW366.85 g/mol
LogP4.90
Rot. Bonds5

About N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide (PubChem CID 68513343) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide
PubChem CID68513343
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide
SMILESCOc1cc(-c2ccncc2)ccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN2O2/c1-14(15-3-6-18(22)7-4-15)24-21(25)19-8-5-17(13-20(19)26-2)16-9-11-23-12-10-16/h3-14H,1-2H3,(H,24,25)/t14-/m0/s1
InChIKeyMWYLTVCGPURAAY-AWEZNQCLSA-N
XLogP4.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68512406
2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 74430495
4-amino-2-methoxy-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107207961
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 118663007
N-[2-hydroxy-1-(4-methylsulfanylphenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide
CID 68516261
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
5-chloro-2-methoxy-N-[1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]ethyl]benzamide
CID 55807881
1-[4-(4-chlorophenyl)-2-methoxyphenyl]ethanone
CID 159226869
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
CID 43297510
6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
CID 7472546
5-(4-chlorophenyl)-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 24639226
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide (CID 68513343) is N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide is COc1cc(-c2ccncc2)ccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide?
The InChIKey is MWYLTVCGPURAAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-14(15-3-6-18(22)7-4-15)24-21(25)19-8-5-17(13-20(19)26-2)16-9-11-23-12-10-16/h3-14H,1-2H3,(H,24,25)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide has a molecular weight of 366.85 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 68513343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).