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

C19H22IN3O — CID 100803316

IUPACN-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide
SMILESC[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2I)cc1N
InChIInChI=1S/C19H22IN3O/c1-13-6-4-5-11-23(13)18-10-9-14(12-17(18)21)22-19(24)15-7-2-3-8-16(15)20/h2-3,7-10,12-13H,4-6,11,21H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeyNMZHASJGJYAKRJ-CYBMUJFWSA-N
MW435.31 g/mol
LogP4.50
Rot. Bonds3

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

N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide (PubChem CID 100803316) has the molecular formula C19H22IN3O and a molecular weight of 435.31 g/mol. Its IUPAC name is N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide
PubChem CID100803316
Molecular FormulaC19H22IN3O
Molecular Weight435.31 g/mol
Exact Mass435.08
IUPAC NameN-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide
SMILESC[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2I)cc1N
InChIInChI=1S/C19H22IN3O/c1-13-6-4-5-11-23(13)18-10-9-14(12-17(18)21)22-19(24)15-7-2-3-8-16(15)20/h2-3,7-10,12-13H,4-6,11,21H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeyNMZHASJGJYAKRJ-CYBMUJFWSA-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-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
CID 100803336
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide
CID 100803273
N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 95733324
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide
CID 91676371
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide
CID 91676351
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]-4-ethoxybenzamide
CID 100803350
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 100803176
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
CID 91676104
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide
CID 91676450
2-iodo-N-[[4-(2-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 17116463
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide
CID 1220386

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide?
The IUPAC name of N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide (CID 100803316) is N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide.
What is the SMILES notation for N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide?
The canonical SMILES for N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide is C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2I)cc1N.
What is the InChIKey of N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide?
The InChIKey is NMZHASJGJYAKRJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22IN3O/c1-13-6-4-5-11-23(13)18-10-9-14(12-17(18)21)22-19(24)15-7-2-3-8-16(15)20/h2-3,7-10,12-13H,4-6,11,21H2,1H3,(H,22,24)/t13-/m1/s1.
What are the key properties of N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide?
N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-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-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide is sourced from PubChem (CID 100803316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).