N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide

C21H25ClN2O — CID 46890911

IUPACN-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccccc1-c1cccc(Cl)c1)CC1CCNCC1
InChIInChI=1S/C21H25ClN2O/c1-16(25)24(14-17-9-11-23-12-10-17)15-19-5-2-3-8-21(19)18-6-4-7-20(22)13-18/h2-8,13,17,23H,9-12,14-15H2,1H3
InChIKeyYEWCYYKVALDDRI-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.36
Rot. Bonds5

About N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide

N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide (PubChem CID 46890911) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide
PubChem CID46890911
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC NameN-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccccc1-c1cccc(Cl)c1)CC1CCNCC1
InChIInChI=1S/C21H25ClN2O/c1-16(25)24(14-17-9-11-23-12-10-17)15-19-5-2-3-8-21(19)18-6-4-7-20(22)13-18/h2-8,13,17,23H,9-12,14-15H2,1H3
InChIKeyYEWCYYKVALDDRI-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-6-fluoro-N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]benzamide
CID 46871844
N-[2-[2-[3-chloro-4-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]phenyl]phenyl]ethyl]acetamide
CID 46931619
3-[4-[2-(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1,1-dimethylurea
CID 146025779
1-[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742520
2-[(4-chlorophenyl)methylamino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2095903
2-[(3-chlorophenyl)methylamino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2095911
2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 2441640
(E)-N-benzyl-3-(3-chlorophenyl)prop-2-enamide
CID 2598217
N-benzyl-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 4879874
2-[(3-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4881897
2-[(3-chlorophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 4883960
2-(3-Chloro-phenyl)-N-[1-(4-iodo-benzyl)-piperidin-4-yl]-acetamide
CID 9804703

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide?
The IUPAC name of N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide (CID 46890911) is N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide.
What is the SMILES notation for N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide?
The canonical SMILES for N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide is CC(=O)N(Cc1ccccc1-c1cccc(Cl)c1)CC1CCNCC1.
What is the InChIKey of N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide?
The InChIKey is YEWCYYKVALDDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-16(25)24(14-17-9-11-23-12-10-17)15-19-5-2-3-8-21(19)18-6-4-7-20(22)13-18/h2-8,13,17,23H,9-12,14-15H2,1H3.
What are the key properties of N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide?
N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide has a molecular weight of 356.90 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide is sourced from PubChem (CID 46890911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).