N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide

C20H24BrN3O — CID 48732588

IUPACN-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
SMILESCC(C)N1CCN(c2ccc(C(=O)Nc3ccccc3Br)cc2)CC1
InChIInChI=1S/C20H24BrN3O/c1-15(2)23-11-13-24(14-12-23)17-9-7-16(8-10-17)20(25)22-19-6-4-3-5-18(19)21/h3-10,15H,11-14H2,1-2H3,(H,22,25)
InChIKeyQJZMOUQIERNQGG-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.23
Rot. Bonds4

About N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide

N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide (PubChem CID 48732588) has the molecular formula C20H24BrN3O and a molecular weight of 402.34 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
PubChem CID48732588
Molecular FormulaC20H24BrN3O
Molecular Weight402.34 g/mol
Exact Mass401.11
IUPAC NameN-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
SMILESCC(C)N1CCN(c2ccc(C(=O)Nc3ccccc3Br)cc2)CC1
InChIInChI=1S/C20H24BrN3O/c1-15(2)23-11-13-24(14-12-23)17-9-7-16(8-10-17)20(25)22-19-6-4-3-5-18(19)21/h3-10,15H,11-14H2,1-2H3,(H,22,25)
InChIKeyQJZMOUQIERNQGG-UHFFFAOYSA-N
XLogP4.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732675
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110302002
(2R)-2-phenyl-2-[[4-(4-propan-2-ylpiperazin-1-yl)benzoyl]amino]acetic acid
CID 119367760
4-(4-propan-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 51093587
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732998
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568
N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 119408955
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
4-benzamido-N-(2-bromophenyl)benzamide
CID 17153303
N-(2-bromophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253961

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The IUPAC name of N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide (CID 48732588) is N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The canonical SMILES for N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide is CC(C)N1CCN(c2ccc(C(=O)Nc3ccccc3Br)cc2)CC1.
What is the InChIKey of N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The InChIKey is QJZMOUQIERNQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O/c1-15(2)23-11-13-24(14-12-23)17-9-7-16(8-10-17)20(25)22-19-6-4-3-5-18(19)21/h3-10,15H,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide has a molecular weight of 402.34 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide is sourced from PubChem (CID 48732588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).