5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline

C19H22ClN3O3 — CID 10110021

IUPAC5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline
SMILESO=[N+]([O-])c1ccc(Cl)cc1NC(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C19H22ClN3O3/c20-16-6-7-19(23(24)25)18(14-16)21-17(15-4-2-1-3-5-15)8-9-22-10-12-26-13-11-22/h1-7,14,17,21H,8-13H2
InChIKeyWEJZAKUKSBWSQJ-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.12
Rot. Bonds7

About 5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline

5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline (PubChem CID 10110021) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline.

Molecular Properties

Compound Name5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline
PubChem CID10110021
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline
SMILESO=[N+]([O-])c1ccc(Cl)cc1NC(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C19H22ClN3O3/c20-16-6-7-19(23(24)25)18(14-16)21-17(15-4-2-1-3-5-15)8-9-22-10-12-26-13-11-22/h1-7,14,17,21H,8-13H2
InChIKeyWEJZAKUKSBWSQJ-UHFFFAOYSA-N
XLogP4.12
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-chloro-2-nitro-N-[(1R)-1-phenylethyl]aniline
CID 7282605
5-morpholin-4-yl-2-nitro-N-[(1R)-1-phenylethyl]aniline
CID 7099647
N-bromo-5-chloro-2-nitroaniline
CID 150892624
2-(3-chlorophenyl)-4-morpholin-4-ylbutanoic acid
CID 53487613
3-methyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-nitrobenzamide
CID 9148512
5-chloro-2-nitro-N-(oxan-4-ylmethyl)aniline
CID 62386853
ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]-oxophosphanium
CID 146233360
6-N-(3-chlorophenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine
CID 110172152
2-nitro-N-[2-(oxolan-3-yl)-1-phenylethyl]aniline
CID 133413500
5-chloro-2-nitro-N-(3-piperazin-1-ylpropyl)aniline
CID 115471810
1-(4-chlorophenyl)-3-(1,4-oxazepan-4-yl)-N-propylpropan-1-amine
CID 62972105
2-[4-[4-nitro-3-(1-phenylethylamino)phenyl]piperazin-1-yl]ethanol
CID 2906270

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline?
The IUPAC name of 5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline (CID 10110021) is 5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline.
What is the SMILES notation for 5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline?
The canonical SMILES for 5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline is O=[N+]([O-])c1ccc(Cl)cc1NC(CCN1CCOCC1)c1ccccc1.
What is the InChIKey of 5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline?
The InChIKey is WEJZAKUKSBWSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c20-16-6-7-19(23(24)25)18(14-16)21-17(15-4-2-1-3-5-15)8-9-22-10-12-26-13-11-22/h1-7,14,17,21H,8-13H2.
What are the key properties of 5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline?
5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline has a molecular weight of 375.86 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-morpholin-4-yl-1-phenylpropyl)-2-nitroaniline is sourced from PubChem (CID 10110021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).