N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide

C19H21ClN2O — CID 952476

IUPACN-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1
InChIInChI=1S/C19H21ClN2O/c1-14-8-10-15(11-9-14)19(23)21-17-7-5-6-16(20)18(17)22-12-3-2-4-13-22/h5-11H,2-4,12-13H2,1H3,(H,21,23)
InChIKeyFXTTVDGBSJKBFX-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.89
Rot. Bonds3

About N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide

N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide (PubChem CID 952476) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
PubChem CID952476
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1
InChIInChI=1S/C19H21ClN2O/c1-14-8-10-15(11-9-14)19(23)21-17-7-5-6-16(20)18(17)22-12-3-2-4-13-22/h5-11H,2-4,12-13H2,1H3,(H,21,23)
InChIKeyFXTTVDGBSJKBFX-UHFFFAOYSA-N
XLogP4.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide
CID 1252929
4-butoxy-N-(3-chloro-2-pyrrolidin-1-ylphenyl)benzamide
CID 4000816
N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1254488
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-4-bromobenzamide
CID 17176995
4-butoxy-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17066222
N-(3-chloro-2-piperidin-1-ylphenyl)propanamide
CID 4297017
2-chloro-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-4-methylbenzamide
CID 2219034
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 5126115
N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
CID 4308425
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 17066177
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide
CID 17066211

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide?
The IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide (CID 952476) is N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide.
What is the SMILES notation for N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide?
The canonical SMILES for N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1.
What is the InChIKey of N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide?
The InChIKey is FXTTVDGBSJKBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-14-8-10-15(11-9-14)19(23)21-17-7-5-6-16(20)18(17)22-12-3-2-4-13-22/h5-11H,2-4,12-13H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide?
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide has a molecular weight of 328.84 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide is sourced from PubChem (CID 952476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).