(2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide

C19H21ClN4O4 — CID 8023654

IUPAC(2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide
SMILESC[C@@H](Nc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C19H21ClN4O4/c1-13(19(25)22-18-7-6-16(24(26)27)12-17(18)20)21-14-2-4-15(5-3-14)23-8-10-28-11-9-23/h2-7,12-13,21H,8-11H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyDUWHQYHYOODPNX-CYBMUJFWSA-N
MW404.85 g/mol
LogP3.52
Rot. Bonds6

About (2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide

(2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide (PubChem CID 8023654) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is (2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide
PubChem CID8023654
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC Name(2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide
SMILESC[C@@H](Nc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C19H21ClN4O4/c1-13(19(25)22-18-7-6-16(24(26)27)12-17(18)20)21-14-2-4-15(5-3-14)23-8-10-28-11-9-23/h2-7,12-13,21H,8-11H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyDUWHQYHYOODPNX-CYBMUJFWSA-N
XLogP3.52
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide
CID 4793201
(2S)-N-(2-chloro-4-nitrophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25357702
(2R)-2-(4-tert-butylanilino)-N-(2-chloro-4-nitrophenyl)propanamide
CID 41040883
(2S)-2-(4-tert-butylanilino)-N-(2-chloro-4-nitrophenyl)propanamide
CID 41040882
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(2-chloro-4-nitrophenyl)propanamide
CID 45281513
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
N-(2-chloro-4-nitrophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide
CID 112770372
N-(2-chloro-4-nitrophenyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 16961420
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 46801980
[(2S)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 4-(morpholin-4-ylmethyl)benzoate
CID 32975939

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide?
The IUPAC name of (2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide (CID 8023654) is (2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide.
What is the SMILES notation for (2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide?
The canonical SMILES for (2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide is C[C@@H](Nc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of (2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide?
The InChIKey is DUWHQYHYOODPNX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-13(19(25)22-18-7-6-16(24(26)27)12-17(18)20)21-14-2-4-15(5-3-14)23-8-10-28-11-9-23/h2-7,12-13,21H,8-11H2,1H3,(H,22,25)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide?
(2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide has a molecular weight of 404.85 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide is sourced from PubChem (CID 8023654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).