N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide

C21H24ClN3O2 — CID 17066177

IUPACN-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-3-19(26)23-18-6-4-5-17(22)20(18)24-11-13-25(14-12-24)21(27)16-9-7-15(2)8-10-16/h4-10H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyCNLBRRKTXLGCAX-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.96
Rot. Bonds4

About N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide

N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide (PubChem CID 17066177) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
PubChem CID17066177
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC NameN-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-3-19(26)23-18-6-4-5-17(22)20(18)24-11-13-25(14-12-24)21(27)16-9-7-15(2)8-10-16/h4-10H,3,11-14H2,1-2H3,(H,23,26)
InChIKeyCNLBRRKTXLGCAX-UHFFFAOYSA-N
XLogP3.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-pyrrolidin-1-ylphenyl)propanamide
CID 4308425
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
N-[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
CID 17027292
2-(2-bromo-4,6-dimethylphenoxy)-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 43913612
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide
CID 17066211
3-bromo-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-ethoxybenzamide
CID 17066254
5-bromo-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17066185
[4-(2-bromo-6-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 169336868
2,5-dichloro-N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 43914018
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 17066264
2-(4-bromophenoxy)-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-2-methylpropanamide
CID 43914743

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide?
The IUPAC name of N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide (CID 17066177) is N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide?
The canonical SMILES for N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide is CCC(=O)Nc1cccc(Cl)c1N1CCN(C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide?
The InChIKey is CNLBRRKTXLGCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-3-19(26)23-18-6-4-5-17(22)20(18)24-11-13-25(14-12-24)21(27)16-9-7-15(2)8-10-16/h4-10H,3,11-14H2,1-2H3,(H,23,26).
What are the key properties of N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide?
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide has a molecular weight of 385.90 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide is sourced from PubChem (CID 17066177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).