N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide

C20H24BrN3O2 — CID 91676528

IUPACN-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1Br
InChIInChI=1S/C20H24BrN3O2/c1-13-7-9-24(10-8-13)18-5-4-15(12-17(18)22)23-20(25)14-3-6-19(26-2)16(21)11-14/h3-6,11-13H,7-10,22H2,1-2H3,(H,23,25)
InChIKeyGSLXFOTXRLSTEP-UHFFFAOYSA-N
MW418.34 g/mol
LogP4.53
Rot. Bonds4

About N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide

N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide (PubChem CID 91676528) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
PubChem CID91676528
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC NameN-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1Br
InChIInChI=1S/C20H24BrN3O2/c1-13-7-9-24(10-8-13)18-5-4-15(12-17(18)22)23-20(25)14-3-6-19(26-2)16(21)11-14/h3-6,11-13H,7-10,22H2,1-2H3,(H,23,25)
InChIKeyGSLXFOTXRLSTEP-UHFFFAOYSA-N
XLogP4.53
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
CID 91676104
3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide
CID 3922164
N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-iodobenzamide
CID 91676368
N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 91676443
3-bromo-N-[[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-4-ethoxybenzamide
CID 17116440
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide
CID 17102771
3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4201717
N-(3-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107990051
5-[(4-bromobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807368
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
3-bromo-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-methoxybenzamide
CID 17358296

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide?
The IUPAC name of N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide (CID 91676528) is N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide.
What is the SMILES notation for N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide?
The canonical SMILES for N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1Br.
What is the InChIKey of N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide?
The InChIKey is GSLXFOTXRLSTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-13-7-9-24(10-8-13)18-5-4-15(12-17(18)22)23-20(25)14-3-6-19(26-2)16(21)11-14/h3-6,11-13H,7-10,22H2,1-2H3,(H,23,25).
What are the key properties of N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide?
N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide has a molecular weight of 418.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide is sourced from PubChem (CID 91676528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).