2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide

C16H15ClN2O4 — CID 2939832

IUPAC2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C16H15ClN2O4/c1-10-9-12(7-8-13(10)17)23-11(2)16(20)18-14-5-3-4-6-15(14)19(21)22/h3-9,11H,1-2H3,(H,18,20)
InChIKeyDYJRQCCTCOEEBU-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.96
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide

2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide (PubChem CID 2939832) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide
PubChem CID2939832
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl
InChIInChI=1S/C16H15ClN2O4/c1-10-9-12(7-8-13(10)17)23-11(2)16(20)18-14-5-3-4-6-15(14)19(21)22/h3-9,11H,1-2H3,(H,18,20)
InChIKeyDYJRQCCTCOEEBU-UHFFFAOYSA-N
XLogP3.96
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.96
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

(2R)-N-(2-chlorophenyl)-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384201
(2S)-N-(2-nitrophenyl)-2-(4-phenylphenoxy)propanamide
CID 7212772
2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide
CID 2953745
2-(3-methyl-4-nitrophenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 24500733
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2-phenylphenyl)propanamide
CID 7794737
2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
CID 53267271
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide
CID 7542731
(2S)-N-[2-(difluoromethoxy)phenyl]-2-(3-methyl-4-nitrophenoxy)propanamide
CID 9384278
2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266753
(2S)-N-(4-chloro-2-nitrophenyl)-2-phenoxypropanamide
CID 7453838
(2S)-2-(4-chloro-3-methylphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
CID 841539

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide (CID 2939832) is 2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide is Cc1cc(OC(C)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide?
The InChIKey is DYJRQCCTCOEEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-10-9-12(7-8-13(10)17)23-11(2)16(20)18-14-5-3-4-6-15(14)19(21)22/h3-9,11H,1-2H3,(H,18,20).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide?
2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide has a molecular weight of 334.76 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 2939832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).