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

C19H21Cl2N3O — CID 95733324

IUPACN-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
SMILESC[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1N
InChIInChI=1S/C19H21Cl2N3O/c1-12-6-4-5-9-24(12)18-11-17(15(21)10-16(18)22)23-19(25)13-7-2-3-8-14(13)20/h2-3,7-8,10-12H,4-6,9,22H2,1H3,(H,23,25)/t12-/m0/s1
InChIKeyIPRFLHAPOAPIHW-LBPRGKRZSA-N
MW378.30 g/mol
LogP5.21
Rot. Bonds3

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

N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide (PubChem CID 95733324) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
PubChem CID95733324
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC NameN-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
SMILESC[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1N
InChIInChI=1S/C19H21Cl2N3O/c1-12-6-4-5-9-24(12)18-11-17(15(21)10-16(18)22)23-19(25)13-7-2-3-8-14(13)20/h2-3,7-8,10-12H,4-6,9,22H2,1H3,(H,23,25)/t12-/m0/s1
InChIKeyIPRFLHAPOAPIHW-LBPRGKRZSA-N
XLogP5.21
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 ≤ 55.21
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-[(2R)-2-methylpiperidin-1-yl]phenyl]-2,5-dichlorobenzamide
CID 95733361
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 100803176
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-4-methylbenzamide
CID 50881212
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-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-4-tert-butylbenzamide
CID 50881555
N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide
CID 100803316
N-[4-amino-2-chloro-5-(4-methylpiperidin-1-yl)phenyl]-2-methylbenzamide
CID 50881063
N-(4-amino-2-chloro-5-pyrrolidin-1-ylphenyl)-2-methoxybenzamide
CID 50881913
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
N-[2-amino-4-methyl-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,4-dichlorobenzamide
CID 100805509
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
CID 100803336

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide?
The IUPAC name of N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide (CID 95733324) is N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide?
The canonical SMILES for N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide is C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2Cl)c(Cl)cc1N.
What is the InChIKey of N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide?
The InChIKey is IPRFLHAPOAPIHW-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c1-12-6-4-5-9-24(12)18-11-17(15(21)10-16(18)22)23-19(25)13-7-2-3-8-14(13)20/h2-3,7-8,10-12H,4-6,9,22H2,1H3,(H,23,25)/t12-/m0/s1.
What are the key properties of N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide?
N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide has a molecular weight of 378.30 g/mol, XLogP of 5.21, 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-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide is sourced from PubChem (CID 95733324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).