N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide

C15H16ClN3O — CID 81410060

IUPACN-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C15H16ClN3O/c1-11(12-6-8-17-9-7-12)18-10-15(20)19-14-4-2-13(16)3-5-14/h2-9,11,18H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyUFPTVSDAJPDABB-LLVKDONJSA-N
MW289.77 g/mol
LogP3.02
Rot. Bonds5

About N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide

N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide (PubChem CID 81410060) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
PubChem CID81410060
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccncc1
InChIInChI=1S/C15H16ClN3O/c1-11(12-6-8-17-9-7-12)18-10-15(20)19-14-4-2-13(16)3-5-14/h2-9,11,18H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyUFPTVSDAJPDABB-LLVKDONJSA-N
XLogP3.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
N-(4-acetylphenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336102
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9335614
N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409885
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9335414
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 9043932
N-(2,6-difluorophenyl)-2-(1-pyridin-4-ylethylamino)acetamide
CID 43408879
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8593396

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide (CID 81410060) is N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide is C[C@@H](NCC(=O)Nc1ccc(Cl)cc1)c1ccncc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide?
The InChIKey is UFPTVSDAJPDABB-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-11(12-6-8-17-9-7-12)18-10-15(20)19-14-4-2-13(16)3-5-14/h2-9,11,18H,10H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide?
N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide has a molecular weight of 289.77 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide is sourced from PubChem (CID 81410060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).