5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide

C19H23ClN4O3 — CID 7495818

IUPAC5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide
SMILESCN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])N(C)C)cc1
InChIInChI=1S/C19H23ClN4O3/c1-22(2)15-8-5-13(6-9-15)18(23(3)4)12-21-19(25)16-11-14(20)7-10-17(16)24(26)27/h5-11,18H,12H2,1-4H3,(H,21,25)/t18-/m0/s1
InChIKeyFAMFFRANOULMKE-SFHVURJKSA-N
MW390.87 g/mol
LogP3.35
Rot. Bonds7

About 5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide

5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide (PubChem CID 7495818) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide
PubChem CID7495818
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide
SMILESCN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])N(C)C)cc1
InChIInChI=1S/C19H23ClN4O3/c1-22(2)15-8-5-13(6-9-15)18(23(3)4)12-21-19(25)16-11-14(20)7-10-17(16)24(26)27/h5-11,18H,12H2,1-4H3,(H,21,25)/t18-/m0/s1
InChIKeyFAMFFRANOULMKE-SFHVURJKSA-N
XLogP3.35
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide
CID 7495816
5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-nitrobenzamide
CID 112764505
4-chloro-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-nitrobenzamide
CID 43956043
5-chloro-N-ethyl-2-nitrobenzamide
CID 3463536
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-2-nitrobenzamide
CID 90581439
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide
CID 51186743
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-nitrobenzamide
CID 60629816
5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide
CID 62641303
5-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide
CID 55101050
5-chloro-N-methyl-2-nitro-N-propylbenzamide
CID 43271301
5-chloro-N-(3-chlorobutyl)-2-nitrobenzamide
CID 113272743
5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90622984

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide (CID 7495818) is 5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide is CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])N(C)C)cc1.
What is the InChIKey of 5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide?
The InChIKey is FAMFFRANOULMKE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-22(2)15-8-5-13(6-9-15)18(23(3)4)12-21-19(25)16-11-14(20)7-10-17(16)24(26)27/h5-11,18H,12H2,1-4H3,(H,21,25)/t18-/m0/s1.
What are the key properties of 5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide?
5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide has a molecular weight of 390.87 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide is sourced from PubChem (CID 7495818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).