N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide

C20H24ClN3O — CID 50881063

IUPACN-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(N2CCC(C)CC2)c(N)cc1Cl
InChIInChI=1S/C20H24ClN3O/c1-13-7-9-24(10-8-13)19-12-18(16(21)11-17(19)22)23-20(25)15-6-4-3-5-14(15)2/h3-6,11-13H,7-10,22H2,1-2H3,(H,23,25)
InChIKeyAQLQDMGGMUHJIO-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.72
Rot. Bonds3

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

N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide (PubChem CID 50881063) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide
PubChem CID50881063
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(N2CCC(C)CC2)c(N)cc1Cl
InChIInChI=1S/C20H24ClN3O/c1-13-7-9-24(10-8-13)19-12-18(16(21)11-17(19)22)23-20(25)15-6-4-3-5-14(15)2/h3-6,11-13H,7-10,22H2,1-2H3,(H,23,25)
InChIKeyAQLQDMGGMUHJIO-UHFFFAOYSA-N
XLogP4.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.72
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-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 50792225
N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 95733324
N-[2-amino-4-methyl-5-(4-methylpiperidin-1-yl)phenyl]-2-methoxybenzamide
CID 91684192
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4003180
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
2,4-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3478464
5-[(2-methylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807328
3-[(2-methylbenzoyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146053611
N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784
2-methyl-N-[[2-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
CID 3890759
N-[2-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methylphenyl]-2-methylbenzamide
CID 91683959
N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide
CID 50881169

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide (CID 50881063) is N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cc(N2CCC(C)CC2)c(N)cc1Cl.
What is the InChIKey of N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide?
The InChIKey is AQLQDMGGMUHJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-13-7-9-24(10-8-13)19-12-18(16(21)11-17(19)22)23-20(25)15-6-4-3-5-14(15)2/h3-6,11-13H,7-10,22H2,1-2H3,(H,23,25).
What are the key properties of N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide?
N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide has a molecular weight of 357.89 g/mol, XLogP of 4.72, 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-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 50881063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).