3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide

C16H16ClNO2 — CID 43168007

IUPAC3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide
SMILESCc1ccc(Oc2ccc(NC(=O)CCCl)cc2)cc1
InChIInChI=1S/C16H16ClNO2/c1-12-2-6-14(7-3-12)20-15-8-4-13(5-9-15)18-16(19)10-11-17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyZAMWSSDIGJSBRR-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.35
Rot. Bonds5

About 3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide

3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide (PubChem CID 43168007) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide
PubChem CID43168007
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide
SMILESCc1ccc(Oc2ccc(NC(=O)CCCl)cc2)cc1
InChIInChI=1S/C16H16ClNO2/c1-12-2-6-14(7-3-12)20-15-8-4-13(5-9-15)18-16(19)10-11-17/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyZAMWSSDIGJSBRR-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 18084877
3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 110480815
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 94830981
5-chloro-N-(4-phenoxyphenyl)pentanamide
CID 28971507
N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide
CID 24636986
2-(3,4-dichlorophenyl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 7925219
N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 24575363
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide?
The IUPAC name of 3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide (CID 43168007) is 3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide.
What is the SMILES notation for 3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide?
The canonical SMILES for 3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide is Cc1ccc(Oc2ccc(NC(=O)CCCl)cc2)cc1.
What is the InChIKey of 3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide?
The InChIKey is ZAMWSSDIGJSBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-12-2-6-14(7-3-12)20-15-8-4-13(5-9-15)18-16(19)10-11-17/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide?
3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide has a molecular weight of 289.76 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide is sourced from PubChem (CID 43168007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).