N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide

C20H23Cl2N3O — CID 100805509

IUPACN-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide
SMILESCc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1CCCC[C@@H]1C
InChIInChI=1S/C20H23Cl2N3O/c1-12-9-17(23)18(11-19(12)25-8-4-3-5-13(25)2)24-20(26)14-6-7-15(21)16(22)10-14/h6-7,9-11,13H,3-5,8,23H2,1-2H3,(H,24,26)/t13-/m0/s1
InChIKeyPKYDHHQNJFMHMP-ZDUSSCGKSA-N
MW392.33 g/mol
LogP5.52
Rot. Bonds3

About N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide

N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide (PubChem CID 100805509) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide
PubChem CID100805509
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC NameN-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide
SMILESCc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1CCCC[C@@H]1C
InChIInChI=1S/C20H23Cl2N3O/c1-12-9-17(23)18(11-19(12)25-8-4-3-5-13(25)2)24-20(26)14-6-7-15(21)16(22)10-14/h6-7,9-11,13H,3-5,8,23H2,1-2H3,(H,24,26)/t13-/m0/s1
InChIKeyPKYDHHQNJFMHMP-ZDUSSCGKSA-N
XLogP5.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.33
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-bromobenzamide
CID 100805457
N-[2-amino-4-methyl-5-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
CID 99968968
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide
CID 100803211
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]-3-methylbenzamide
CID 50881051
N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide
CID 95733298
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-4-tert-butylbenzamide
CID 50881555
N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide
CID 95733361
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-chlorobenzamide
CID 100803194
N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 95733324
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803251
N-[2-amino-5-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-methylphenyl]-3,4-dimethoxybenzamide
CID 100805539

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide (CID 100805509) is N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide is Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1CCCC[C@@H]1C.
What is the InChIKey of N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide?
The InChIKey is PKYDHHQNJFMHMP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-12-9-17(23)18(11-19(12)25-8-4-3-5-13(25)2)24-20(26)14-6-7-15(21)16(22)10-14/h6-7,9-11,13H,3-5,8,23H2,1-2H3,(H,24,26)/t13-/m0/s1.
What are the key properties of N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide?
N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide has a molecular weight of 392.33 g/mol, XLogP of 5.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 100805509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).