N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide

C19H22IN3O — CID 100803229

IUPACN-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide
SMILESC[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc(I)c1
InChIInChI=1S/C19H22IN3O/c1-13-5-2-3-10-23(13)18-9-8-16(21)12-17(18)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)/t13-/m0/s1
InChIKeyRVQGZNSEPJGBDJ-ZDUSSCGKSA-N
MW435.31 g/mol
LogP4.50
Rot. Bonds3

About N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide

N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide (PubChem CID 100803229) has the molecular formula C19H22IN3O and a molecular weight of 435.31 g/mol. Its IUPAC name is N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide
PubChem CID100803229
Molecular FormulaC19H22IN3O
Molecular Weight435.31 g/mol
Exact Mass435.08
IUPAC NameN-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide
SMILESC[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc(I)c1
InChIInChI=1S/C19H22IN3O/c1-13-5-2-3-10-23(13)18-9-8-16(21)12-17(18)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)/t13-/m0/s1
InChIKeyRVQGZNSEPJGBDJ-ZDUSSCGKSA-N
XLogP4.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-chlorobenzamide
CID 100803194
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide
CID 100803211
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 100803208
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide
CID 100803206
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 100803176
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 91675412
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide
CID 100803151
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803251
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
CID 100803131
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 91675417
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-3-methylbenzamide
CID 50881051

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide?
The IUPAC name of N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide (CID 100803229) is N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide.
What is the SMILES notation for N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide?
The canonical SMILES for N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide is C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccc(I)c1.
What is the InChIKey of N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide?
The InChIKey is RVQGZNSEPJGBDJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22IN3O/c1-13-5-2-3-10-23(13)18-9-8-16(21)12-17(18)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)/t13-/m0/s1.
What are the key properties of N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide?
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide has a molecular weight of 435.31 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide is sourced from PubChem (CID 100803229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).