N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide

C19H22ClN3O — CID 50881210

IUPACN-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(N3CCCCC3)c(N)cc2Cl)c1
InChIInChI=1S/C19H22ClN3O/c1-13-6-5-7-14(10-13)19(24)22-17-12-18(16(21)11-15(17)20)23-8-3-2-4-9-23/h5-7,10-12H,2-4,8-9,21H2,1H3,(H,22,24)
InChIKeyPKRNQMIRYQLLGY-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.47
Rot. Bonds3

About N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide

N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide (PubChem CID 50881210) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide
PubChem CID50881210
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(N3CCCCC3)c(N)cc2Cl)c1
InChIInChI=1S/C19H22ClN3O/c1-13-6-5-7-14(10-13)19(24)22-17-12-18(16(21)11-15(17)20)23-8-3-2-4-9-23/h5-7,10-12H,2-4,8-9,21H2,1H3,(H,22,24)
InChIKeyPKRNQMIRYQLLGY-UHFFFAOYSA-N
XLogP4.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide 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-[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-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91675430
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide
CID 50881412
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide
CID 91676207
N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-3-methoxybenzamide
CID 50881780
N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 50881129
N-[3-[(2-chloro-4-methylphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326340
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 7492197
3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400455

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide?
The IUPAC name of N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide (CID 50881210) is N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide?
The canonical SMILES for N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(N3CCCCC3)c(N)cc2Cl)c1.
What is the InChIKey of N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide?
The InChIKey is PKRNQMIRYQLLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-13-6-5-7-14(10-13)19(24)22-17-12-18(16(21)11-15(17)20)23-8-3-2-4-9-23/h5-7,10-12H,2-4,8-9,21H2,1H3,(H,22,24).
What are the key properties of N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide?
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide has a molecular weight of 343.86 g/mol, XLogP of 4.47, 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-piperidin-1-ylphenyl)-3-methylbenzamide is sourced from PubChem (CID 50881210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).