N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide

C19H21ClN2O4 — CID 19191422

IUPACN-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide
SMILESCCCc1ccc(OCCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H21ClN2O4/c1-2-4-14-6-9-16(10-7-14)26-12-3-5-19(23)21-15-8-11-17(20)18(13-15)22(24)25/h6-11,13H,2-5,12H2,1H3,(H,21,23)
InChIKeyBYTWFKBOHWTRMB-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.00
Rot. Bonds9

About N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide

N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide (PubChem CID 19191422) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide
PubChem CID19191422
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC NameN-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide
SMILESCCCc1ccc(OCCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H21ClN2O4/c1-2-4-14-6-9-16(10-7-14)26-12-3-5-19(23)21-15-8-11-17(20)18(13-15)22(24)25/h6-11,13H,2-5,12H2,1H3,(H,21,23)
InChIKeyBYTWFKBOHWTRMB-UHFFFAOYSA-N
XLogP5.00
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide
CID 19173108
N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807182
4-[2,4-bis(2,2-dimethylpropyl)phenoxy]-N-(4-chloro-3-nitrophenyl)butanamide
CID 4068297
4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19191276
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
4-amino-N-(4-chloro-3-nitrophenyl)butanamide
CID 43708466
methyl 2-[4-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695259
3-[butyl(methyl)amino]-N-(4-chloro-3-nitrophenyl)propanamide
CID 108806818
N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide
CID 35987063
1-(4-butoxyphenyl)-3-[(4-chloro-3-nitrophenyl)methylideneamino]urea
CID 19169360
4-[4-(2-methylbutan-2-yl)phenoxy]-N-(4-methyl-3-nitrophenyl)butanamide
CID 2072091

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide (CID 19191422) is N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide is CCCc1ccc(OCCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide?
The InChIKey is BYTWFKBOHWTRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-2-4-14-6-9-16(10-7-14)26-12-3-5-19(23)21-15-8-11-17(20)18(13-15)22(24)25/h6-11,13H,2-5,12H2,1H3,(H,21,23).
What are the key properties of N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide?
N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide has a molecular weight of 376.84 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide is sourced from PubChem (CID 19191422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).