N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide

C19H20Cl3N3O — CID 95733361

IUPACN-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide
SMILESC[C@@H]1CCCCN1c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1N
InChIInChI=1S/C19H20Cl3N3O/c1-11-4-2-3-7-25(11)18-10-17(15(22)9-16(18)23)24-19(26)13-8-12(20)5-6-14(13)21/h5-6,8-11H,2-4,7,23H2,1H3,(H,24,26)/t11-/m1/s1
InChIKeyUQWNJKKUYGCWQG-LLVKDONJSA-N
MW412.75 g/mol
LogP5.86
Rot. Bonds3

About N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide

N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide (PubChem CID 95733361) has the molecular formula C19H20Cl3N3O and a molecular weight of 412.75 g/mol. Its IUPAC name is N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide
PubChem CID95733361
Molecular FormulaC19H20Cl3N3O
Molecular Weight412.75 g/mol
Exact Mass411.07
IUPAC NameN-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide
SMILESC[C@@H]1CCCCN1c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1N
InChIInChI=1S/C19H20Cl3N3O/c1-11-4-2-3-7-25(11)18-10-17(15(22)9-16(18)23)24-19(26)13-8-12(20)5-6-14(13)21/h5-6,8-11H,2-4,7,23H2,1H3,(H,24,26)/t11-/m1/s1
InChIKeyUQWNJKKUYGCWQG-LLVKDONJSA-N
XLogP5.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.75
LogP ≤ 55.86
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-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 95733324
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-4-methylbenzamide
CID 50881212
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-4-tert-butylbenzamide
CID 50881555
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
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 100803176
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-chlorobenzamide
CID 100803194
5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40788179
N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide
CID 100805509
N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide
CID 100803316
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide
CID 100803211
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4003180

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide?
The IUPAC name of N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide (CID 95733361) is N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide.
What is the SMILES notation for N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide?
The canonical SMILES for N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide is C[C@@H]1CCCCN1c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1N.
What is the InChIKey of N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide?
The InChIKey is UQWNJKKUYGCWQG-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20Cl3N3O/c1-11-4-2-3-7-25(11)18-10-17(15(22)9-16(18)23)24-19(26)13-8-12(20)5-6-14(13)21/h5-6,8-11H,2-4,7,23H2,1H3,(H,24,26)/t11-/m1/s1.
What are the key properties of N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide?
N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide has a molecular weight of 412.75 g/mol, XLogP of 5.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide is sourced from PubChem (CID 95733361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).