2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide

C19H21Cl2N3O3 — CID 8782247

IUPAC2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide
SMILESCCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl
InChIInChI=1S/C19H21Cl2N3O3/c1-3-23(4-2)18(14-7-5-6-8-16(14)20)12-22-19(25)15-10-9-13(24(26)27)11-17(15)21/h5-11,18H,3-4,12H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyOMLHGTJGWZPAIC-SFHVURJKSA-N
MW410.30 g/mol
LogP4.71
Rot. Bonds8

About 2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide

2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide (PubChem CID 8782247) has the molecular formula C19H21Cl2N3O3 and a molecular weight of 410.30 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide
PubChem CID8782247
Molecular FormulaC19H21Cl2N3O3
Molecular Weight410.30 g/mol
Exact Mass409.10
IUPAC Name2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide
SMILESCCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl
InChIInChI=1S/C19H21Cl2N3O3/c1-3-23(4-2)18(14-7-5-6-8-16(14)20)12-22-19(25)15-10-9-13(24(26)27)11-17(15)21/h5-11,18H,3-4,12H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyOMLHGTJGWZPAIC-SFHVURJKSA-N
XLogP4.71
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-nitrobenzamide
CID 39521017
N-[1-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 112763889
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-nitrobenzamide
CID 25480247
2-chloro-N-(2-ethylbutyl)-4-nitrobenzamide
CID 113232033
2-[[(2-chloro-4-nitrobenzoyl)amino]methyl]butanoic acid
CID 65219125
3-chloro-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]benzamide
CID 18280256
2-chloro-N-(2-methylsulfanylpropyl)-4-nitrobenzamide
CID 115759396
2-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-nitrobenzamide
CID 8796067
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-4-nitrobenzamide
CID 45001589
3-[(2-chloro-4-nitrobenzoyl)amino]-2-hydroxypropanoic acid
CID 66165217
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-nitrobenzamide
CID 104928075
methyl 3-[(2-chloro-4-nitrobenzoyl)amino]-2-hydroxypropanoate
CID 103879220

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide (CID 8782247) is 2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide is CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide?
The InChIKey is OMLHGTJGWZPAIC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3/c1-3-23(4-2)18(14-7-5-6-8-16(14)20)12-22-19(25)15-10-9-13(24(26)27)11-17(15)21/h5-11,18H,3-4,12H2,1-2H3,(H,22,25)/t18-/m0/s1.
What are the key properties of 2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide?
2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide has a molecular weight of 410.30 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-nitrobenzamide is sourced from PubChem (CID 8782247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).