N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide

C20H24BrN3O2 — CID 91676104

IUPACN-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3C)c(N)c2)cc1Br
InChIInChI=1S/C20H24BrN3O2/c1-13-5-3-4-10-24(13)18-8-7-15(12-17(18)22)23-20(25)14-6-9-19(26-2)16(21)11-14/h6-9,11-13H,3-5,10,22H2,1-2H3,(H,23,25)
InChIKeyIJEDYRYQPQRSBY-UHFFFAOYSA-N
MW418.34 g/mol
LogP4.67
Rot. Bonds4

About N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide

N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide (PubChem CID 91676104) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
PubChem CID91676104
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC NameN-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCCCC3C)c(N)c2)cc1Br
InChIInChI=1S/C20H24BrN3O2/c1-13-5-3-4-10-24(13)18-8-7-15(12-17(18)22)23-20(25)14-6-9-19(26-2)16(21)11-14/h6-9,11-13H,3-5,10,22H2,1-2H3,(H,23,25)
InChIKeyIJEDYRYQPQRSBY-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
CID 91676528
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide
CID 91676371
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
CID 100803336
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803366
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide
CID 91676351
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide
CID 100803350
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 100803208
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide
CID 91676450
3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide
CID 3922164
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide
CID 100803273
N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide
CID 100803316
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
CID 82989332

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide?
The IUPAC name of N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide (CID 91676104) is N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide.
What is the SMILES notation for N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide?
The canonical SMILES for N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(N3CCCCC3C)c(N)c2)cc1Br.
What is the InChIKey of N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide?
The InChIKey is IJEDYRYQPQRSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-13-5-3-4-10-24(13)18-8-7-15(12-17(18)22)23-20(25)14-6-9-19(26-2)16(21)11-14/h6-9,11-13H,3-5,10,22H2,1-2H3,(H,23,25).
What are the key properties of N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide?
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide has a molecular weight of 418.34 g/mol, XLogP of 4.67, 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-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide is sourced from PubChem (CID 91676104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).