N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide

C20H24ClN3O — CID 100803211

IUPACN-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1Cl
InChIInChI=1S/C20H24ClN3O/c1-13-6-7-15(11-17(13)21)20(25)23-18-12-16(22)8-9-19(18)24-10-4-3-5-14(24)2/h6-9,11-12,14H,3-5,10,22H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyPMMCUKCWPLXEGK-AWEZNQCLSA-N
MW357.89 g/mol
LogP4.86
Rot. Bonds3

About N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide

N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide (PubChem CID 100803211) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide
PubChem CID100803211
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1Cl
InChIInChI=1S/C20H24ClN3O/c1-13-6-7-15(11-17(13)21)20(25)23-18-12-16(22)8-9-19(18)24-10-4-3-5-14(24)2/h6-9,11-12,14H,3-5,10,22H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyPMMCUKCWPLXEGK-AWEZNQCLSA-N
XLogP4.86
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 ≤ 54.86
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-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-chlorobenzamide
CID 100803194
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803251
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 100803176
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 100803208
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide
CID 100803229
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide
CID 100803206
N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide
CID 100805509
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-4-methylbenzamide
CID 50881212
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
CID 100803131
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 91675412
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide
CID 100803151

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide?
The IUPAC name of N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide (CID 100803211) is N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide.
What is the SMILES notation for N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide?
The canonical SMILES for N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1Cl.
What is the InChIKey of N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide?
The InChIKey is PMMCUKCWPLXEGK-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-13-6-7-15(11-17(13)21)20(25)23-18-12-16(22)8-9-19(18)24-10-4-3-5-14(24)2/h6-9,11-12,14H,3-5,10,22H2,1-2H3,(H,23,25)/t14-/m0/s1.
What are the key properties of N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide?
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide has a molecular weight of 357.89 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide is sourced from PubChem (CID 100803211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).