2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide

C21H19ClN2O2 — CID 68512406

IUPAC2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3)cc2Cl)cc1
InChIInChI=1S/C21H19ClN2O2/c1-14(15-3-6-18(26-2)7-4-15)24-21(25)19-8-5-17(13-20(19)22)16-9-11-23-12-10-16/h3-14H,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyIBDPEJVVIVUNCX-CQSZACIVSA-N
MW366.85 g/mol
LogP4.90
Rot. Bonds5

About 2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide

2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide (PubChem CID 68512406) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
PubChem CID68512406
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3)cc2Cl)cc1
InChIInChI=1S/C21H19ClN2O2/c1-14(15-3-6-18(26-2)7-4-15)24-21(25)19-8-5-17(13-20(19)22)16-9-11-23-12-10-16/h3-14H,1-2H3,(H,24,25)/t14-/m1/s1
InChIKeyIBDPEJVVIVUNCX-CQSZACIVSA-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

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide
CID 68513343
N-[1-(4-methoxyphenyl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159767
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
2-methoxy-N-[1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 74430495
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 114918638
2-chloro-4-nitro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585316
4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 60739451
3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 45030575
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740
N-[(1S)-1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 39853258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of 2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide (CID 68512406) is 2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide is COc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide?
The InChIKey is IBDPEJVVIVUNCX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-14(15-3-6-18(26-2)7-4-15)24-21(25)19-8-5-17(13-20(19)22)16-9-11-23-12-10-16/h3-14H,1-2H3,(H,24,25)/t14-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide?
2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-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 2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 68512406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).