2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide

C26H27ClN2O2 — CID 134802651

IUPAC2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1-c1cccc(CN2CCC(NC(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C26H27ClN2O2/c1-31-25-12-5-3-9-22(25)20-8-6-7-19(17-20)18-29-15-13-21(14-16-29)28-26(30)23-10-2-4-11-24(23)27/h2-12,17,21H,13-16,18H2,1H3,(H,28,30)
InChIKeyHQNKKTLISWVUKO-UHFFFAOYSA-N
MW434.97 g/mol
LogP5.41
Rot. Bonds6

About 2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide

2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide (PubChem CID 134802651) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
PubChem CID134802651
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCOc1ccccc1-c1cccc(CN2CCC(NC(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C26H27ClN2O2/c1-31-25-12-5-3-9-22(25)20-8-6-7-19(17-20)18-29-15-13-21(14-16-29)28-26(30)23-10-2-4-11-24(23)27/h2-12,17,21H,13-16,18H2,1H3,(H,28,30)
InChIKeyHQNKKTLISWVUKO-UHFFFAOYSA-N
XLogP5.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
2-chloro-N-[(3S,4R)-1-(3,4-dimethoxybenzoyl)-3-phenylpiperidin-4-yl]benzamide
CID 134278801
Cyto2G5
CID 2802385
N-(2-chloro-6-phenoxybenzyl)benzamide
CID 2811913
4-chloro-N-[4-[(2-methoxyphenyl)methylamino]-4-oxobutyl]benzamide
CID 4827357
N-{[1-(2-methoxybenzyl)piperidin-3-yl]methyl}-1-naphthamide
CID 23723659
2-chloro-6-fluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 2933867
4'-Chloro-biphenyl-4-carboxylic acid-[2-(3-methoxy-4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 10433825
3-methoxy-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
CID 11443944
2-(4-Chloro-phenyl)-N-[2-(4-cyclohexyl-piperazin-1-yl)-2-(2-methoxy-phenyl)-ethyl]-acetamide
CID 21994241
N-(2-Chlorobenzoyl)-4-(2-methoxyphenyl)-L-phenylalanine
CID 44330660
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)benzamide;hydrochloride
CID 45482436

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide (CID 134802651) is 2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide is COc1ccccc1-c1cccc(CN2CCC(NC(=O)c3ccccc3Cl)CC2)c1.
What is the InChIKey of 2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is HQNKKTLISWVUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c1-31-25-12-5-3-9-22(25)20-8-6-7-19(17-20)18-29-15-13-21(14-16-29)28-26(30)23-10-2-4-11-24(23)27/h2-12,17,21H,13-16,18H2,1H3,(H,28,30).
What are the key properties of 2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide?
2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 434.97 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134802651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).