(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide

C18H19ClN2O4 — CID 7865944

IUPAC(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C18H19ClN2O4/c1-11(2)13-4-6-14(7-5-13)20-18(22)12(3)25-17-9-8-15(21(23)24)10-16(17)19/h4-12H,1-3H3,(H,20,22)/t12-/m1/s1
InChIKeyRVIDJGOLXIIGRQ-GFCCVEGCSA-N
MW362.81 g/mol
LogP4.78
Rot. Bonds6

About (2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide

(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 7865944) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID7865944
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2Cl)cc1
InChIInChI=1S/C18H19ClN2O4/c1-11(2)13-4-6-14(7-5-13)20-18(22)12(3)25-17-9-8-15(21(23)24)10-16(17)19/h4-12H,1-3H3,(H,20,22)/t12-/m1/s1
InChIKeyRVIDJGOLXIIGRQ-GFCCVEGCSA-N
XLogP4.78
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.78
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

(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-chloro-4-nitrophenoxy)propanamide
CID 8956892
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8956878
2-(2-chloro-4-nitrophenoxy)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 18281666
(2S)-2-(2-chloro-4-nitrophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
CID 8956824
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 8956846
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947242
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 7865912
(2S)-2-(2-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 9410254
2-(2,3-dichlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 42990455
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733327
2-(2-bromo-4-chlorophenoxy)-N-(4-nitrophenyl)propanamide
CID 4981359

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of (2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide (CID 7865944) is (2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2Cl)cc1.
What is the InChIKey of (2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is RVIDJGOLXIIGRQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-11(2)13-4-6-14(7-5-13)20-18(22)12(3)25-17-9-8-15(21(23)24)10-16(17)19/h4-12H,1-3H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide?
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 362.81 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-nitrophenoxy)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 7865944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).