2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

C19H21F2N3O2 — CID 30857280

IUPAC2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccccc3OC(F)F)cc2)CC1
InChIInChI=1S/C19H21F2N3O2/c1-23-10-12-24(13-11-23)15-8-6-14(7-9-15)22-18(25)16-4-2-3-5-17(16)26-19(20)21/h2-9,19H,10-13H2,1H3,(H,22,25)
InChIKeyRCUWUMIHRPWATR-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.29
Rot. Bonds5

About 2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 30857280) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID30857280
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccccc3OC(F)F)cc2)CC1
InChIInChI=1S/C19H21F2N3O2/c1-23-10-12-24(13-11-23)15-8-6-14(7-9-15)22-18(25)16-4-2-3-5-17(16)26-19(20)21/h2-9,19H,10-13H2,1H3,(H,22,25)
InChIKeyRCUWUMIHRPWATR-UHFFFAOYSA-N
XLogP3.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
CID 50946132
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689
2-ethylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53285947
2-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960710
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
2-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide
CID 41251975
2-(difluoromethoxy)-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 25345280
2-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 26904916
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
4-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-propan-2-ylbenzamide
CID 100716626
2-(difluoromethoxy)-N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 8778786
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 30857280) is 2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is CN1CCN(c2ccc(NC(=O)c3ccccc3OC(F)F)cc2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is RCUWUMIHRPWATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-23-10-12-24(13-11-23)15-8-6-14(7-9-15)22-18(25)16-4-2-3-5-17(16)26-19(20)21/h2-9,19H,10-13H2,1H3,(H,22,25).
What are the key properties of 2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 361.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 30857280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).