N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide

C19H21Cl2N3O — CID 91684113

IUPACN-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide
SMILESCc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1CCCCC1
InChIInChI=1S/C19H21Cl2N3O/c1-12-9-16(22)17(11-18(12)24-7-3-2-4-8-24)23-19(25)14-6-5-13(20)10-15(14)21/h5-6,9-11H,2-4,7-8,22H2,1H3,(H,23,25)
InChIKeyLGRQNACRRBOTCK-UHFFFAOYSA-N
MW378.30 g/mol
LogP5.13
Rot. Bonds3

About N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide

N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide (PubChem CID 91684113) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide
PubChem CID91684113
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC NameN-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide
SMILESCc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1CCCCC1
InChIInChI=1S/C19H21Cl2N3O/c1-12-9-16(22)17(11-18(12)24-7-3-2-4-8-24)23-19(25)14-6-5-13(20)10-15(14)21/h5-6,9-11H,2-4,7-8,22H2,1H3,(H,23,25)
InChIKeyLGRQNACRRBOTCK-UHFFFAOYSA-N
XLogP5.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 55.13
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-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide
CID 91676429
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
2,4-dichloro-N-(2,4-diaminophenyl)benzamide
CID 3289915
2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide
CID 2954012
2,4-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3478464
2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide
CID 7922555
2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 4918942
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide
CID 50881210
N-(2-amino-5-chlorophenyl)-5-chloro-2-methylbenzamide
CID 82880207
5-chloro-2-iodo-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 38924649

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide?
The IUPAC name of N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide (CID 91684113) is N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide is Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1CCCCC1.
What is the InChIKey of N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide?
The InChIKey is LGRQNACRRBOTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c1-12-9-16(22)17(11-18(12)24-7-3-2-4-8-24)23-19(25)14-6-5-13(20)10-15(14)21/h5-6,9-11H,2-4,7-8,22H2,1H3,(H,23,25).
What are the key properties of N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide?
N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide has a molecular weight of 378.30 g/mol, XLogP of 5.13, 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-piperidin-1-ylphenyl)-2,4-dichlorobenzamide is sourced from PubChem (CID 91684113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).