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

C19H22BrN3O — CID 91676371

IUPACN-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide
SMILESCC1CCCCN1c1ccc(NC(=O)c2cccc(Br)c2)cc1N
InChIInChI=1S/C19H22BrN3O/c1-13-5-2-3-10-23(13)18-9-8-16(12-17(18)21)22-19(24)14-6-4-7-15(20)11-14/h4,6-9,11-13H,2-3,5,10,21H2,1H3,(H,22,24)
InChIKeyGCTHWBYPEIHXJY-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.66
Rot. Bonds3

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

N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide (PubChem CID 91676371) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide
PubChem CID91676371
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC NameN-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide
SMILESCC1CCCCN1c1ccc(NC(=O)c2cccc(Br)c2)cc1N
InChIInChI=1S/C19H22BrN3O/c1-13-5-2-3-10-23(13)18-9-8-16(12-17(18)21)22-19(24)14-6-4-7-15(20)11-14/h4,6-9,11-13H,2-3,5,10,21H2,1H3,(H,22,24)
InChIKeyGCTHWBYPEIHXJY-UHFFFAOYSA-N
XLogP4.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide
CID 91676450
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide
CID 91676351
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
CID 91676104
N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-bromobenzamide
CID 100805457
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide
CID 100803350
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
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803366
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
CID 100803336
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide
CID 100803229
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-3-methylbenzamide
CID 50881051
N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide
CID 95733298

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide?
The IUPAC name of N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide (CID 91676371) is N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide.
What is the SMILES notation for N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide?
The canonical SMILES for N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide is CC1CCCCN1c1ccc(NC(=O)c2cccc(Br)c2)cc1N.
What is the InChIKey of N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide?
The InChIKey is GCTHWBYPEIHXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-13-5-2-3-10-23(13)18-9-8-16(12-17(18)21)22-19(24)14-6-4-7-15(20)11-14/h4,6-9,11-13H,2-3,5,10,21H2,1H3,(H,22,24).
What are the key properties of N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide?
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide has a molecular weight of 388.31 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide is sourced from PubChem (CID 91676371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).