(2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide

C16H14ClN3O5 — CID 135783828

IUPAC(2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C16H14ClN3O5/c1-10(25-14-4-2-3-12(17)8-14)16(22)19-18-9-11-7-13(20(23)24)5-6-15(11)21/h2-10,21H,1H3,(H,19,22)/b18-9+/t10-/m1/s1
InChIKeyNHVDFMGCTLNMTO-SVXRXWARSA-N
MW363.76 g/mol
LogP2.87
Rot. Bonds6

About (2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide

(2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide (PubChem CID 135783828) has the molecular formula C16H14ClN3O5 and a molecular weight of 363.76 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
PubChem CID135783828
Molecular FormulaC16H14ClN3O5
Molecular Weight363.76 g/mol
Exact Mass363.06
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
SMILESC[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C16H14ClN3O5/c1-10(25-14-4-2-3-12(17)8-14)16(22)19-18-9-11-7-13(20(23)24)5-6-15(11)21/h2-10,21H,1H3,(H,19,22)/b18-9+/t10-/m1/s1
InChIKeyNHVDFMGCTLNMTO-SVXRXWARSA-N
XLogP2.87
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

2-(4-bromophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135472513
(2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
CID 135682567
2-(3-chlorophenoxy)-N-[(E)-(2-chlorophenyl)methylideneamino]propanamide
CID 11835557
(2R)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-nitrophenoxy)propanamide
CID 92644710
2-(4-chloroanilino)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135957595
(2R)-2-(4-chlorophenoxy)-N-[(3-nitrophenyl)methylideneamino]propanamide
CID 787801
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 135716312
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
2-(3-bromophenoxy)-N-[(4-nitrophenyl)methylideneamino]propanamide
CID 4303081
(2S)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 135619152
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 4050443
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 135604305

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide (CID 135783828) is (2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide is C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide?
The InChIKey is NHVDFMGCTLNMTO-SVXRXWARSA-N. The full InChI is InChI=1S/C16H14ClN3O5/c1-10(25-14-4-2-3-12(17)8-14)16(22)19-18-9-11-7-13(20(23)24)5-6-15(11)21/h2-10,21H,1H3,(H,19,22)/b18-9+/t10-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide?
(2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide has a molecular weight of 363.76 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide is sourced from PubChem (CID 135783828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).