N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide

C19H22ClN3O — CID 17102762

IUPACN-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c1
InChIInChI=1S/C19H22ClN3O/c1-14-4-3-5-15(12-14)19(24)21-16-6-7-18(17(20)13-16)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyIQKXLSOPNZVOII-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.65
Rot. Bonds3

About N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide

N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide (PubChem CID 17102762) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
PubChem CID17102762
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c1
InChIInChI=1S/C19H22ClN3O/c1-14-4-3-5-15(12-14)19(24)21-16-6-7-18(17(20)13-16)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyIQKXLSOPNZVOII-UHFFFAOYSA-N
XLogP3.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 141195641
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
3-chloro-N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 22777943
N-[[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]-3-iodobenzamide
CID 17116380
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 6461050
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
N-[3-[(2-chloro-4-methylphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326340
N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methylbenzamide
CID 4222136
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-naphthalen-2-ylphenyl]benzamide
CID 127046364
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-3-fluorobenzamide
CID 3341571
3-chloro-N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 17358559

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide (CID 17102762) is N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)c1.
What is the InChIKey of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide?
The InChIKey is IQKXLSOPNZVOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-14-4-3-5-15(12-14)19(24)21-16-6-7-18(17(20)13-16)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24).
What are the key properties of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide?
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide has a molecular weight of 343.86 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide is sourced from PubChem (CID 17102762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).