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

C20H24ClN3O — CID 95733298

IUPACN-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c(N)cc2Cl)c1
InChIInChI=1S/C20H24ClN3O/c1-13-6-5-8-15(10-13)20(25)23-18-12-19(17(22)11-16(18)21)24-9-4-3-7-14(24)2/h5-6,8,10-12,14H,3-4,7,9,22H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyFUBWPXIYKIHTTP-CQSZACIVSA-N
MW357.89 g/mol
LogP4.86
Rot. Bonds3

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

N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide (PubChem CID 95733298) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide
PubChem CID95733298
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c(N)cc2Cl)c1
InChIInChI=1S/C20H24ClN3O/c1-13-6-5-8-15(10-13)20(25)23-18-12-19(17(22)11-16(18)21)24-9-4-3-7-14(24)2/h5-6,8,10-12,14H,3-4,7,9,22H2,1-2H3,(H,23,25)/t14-/m1/s1
InChIKeyFUBWPXIYKIHTTP-CQSZACIVSA-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-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-3-methylbenzamide
CID 50881051
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-4-methylbenzamide
CID 50881212
N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 95733324
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide
CID 50881210
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-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide
CID 100805509
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide
CID 100803229
N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-bromobenzamide
CID 100805457
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide
CID 100803211
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
N-[2-chloro-5-[(2R)-2-methylpiperidin-1-yl]-4-nitrophenyl]-3-methoxybenzamide
CID 95733373

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide (CID 95733298) is N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(N3CCCC[C@H]3C)c(N)cc2Cl)c1.
What is the InChIKey of N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide?
The InChIKey is FUBWPXIYKIHTTP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-13-6-5-8-15(10-13)20(25)23-18-12-19(17(22)11-16(18)21)24-9-4-3-7-14(24)2/h5-6,8,10-12,14H,3-4,7,9,22H2,1-2H3,(H,23,25)/t14-/m1/s1.
What are the key properties of N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide?
N-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-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-[4-amino-2-chloro-5-[(2R)-2-methylpiperidin-1-yl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 95733298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).