2-chloro-N-[(4-propoxyphenyl)methyl]propanamide

C13H18ClNO2 — CID 82109238

IUPAC2-chloro-N-[(4-propoxyphenyl)methyl]propanamide
SMILESCCCOc1ccc(CNC(=O)C(C)Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-3-8-17-12-6-4-11(5-7-12)9-15-13(16)10(2)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyAXZNBPYBMJEZCX-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.72
Rot. Bonds6

About 2-chloro-N-[(4-propoxyphenyl)methyl]propanamide

2-chloro-N-[(4-propoxyphenyl)methyl]propanamide (PubChem CID 82109238) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-N-[(4-propoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(4-propoxyphenyl)methyl]propanamide
PubChem CID82109238
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-chloro-N-[(4-propoxyphenyl)methyl]propanamide
SMILESCCCOc1ccc(CNC(=O)C(C)Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-3-8-17-12-6-4-11(5-7-12)9-15-13(16)10(2)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyAXZNBPYBMJEZCX-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.72
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-methyl-3-(methylamino)-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714366
2-amino-3-methyl-N-[(4-propoxyphenyl)methyl]pentanamide;hydrochloride
CID 119714373
3-amino-2-methyl-3-phenyl-N-[(4-propoxyphenyl)methyl]propanamide
CID 119714355
2-[(4-propoxyphenyl)methylcarbamoylamino]propanediamide
CID 56796089
4-[4-[(2-methylpentanoylamino)methyl]phenoxy]butanoic acid
CID 119247320
N,N-dimethyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 43573853
N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 115588909
N-(2-methylpropyl)-2-[(4-propoxyphenyl)methylamino]acetamide
CID 115586624
1-[(4-butoxyphenyl)methyl]-3-[(4-propoxyphenyl)methyl]thiourea
CID 3095517
N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 115672820
2-[(4-propoxyphenyl)methylamino]propan-1-ol
CID 43499524
4-[[[2-(4-propoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45426481

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-propoxyphenyl)methyl]propanamide?
The IUPAC name of 2-chloro-N-[(4-propoxyphenyl)methyl]propanamide (CID 82109238) is 2-chloro-N-[(4-propoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(4-propoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-[(4-propoxyphenyl)methyl]propanamide is CCCOc1ccc(CNC(=O)C(C)Cl)cc1.
What is the InChIKey of 2-chloro-N-[(4-propoxyphenyl)methyl]propanamide?
The InChIKey is AXZNBPYBMJEZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-8-17-12-6-4-11(5-7-12)9-15-13(16)10(2)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-[(4-propoxyphenyl)methyl]propanamide?
2-chloro-N-[(4-propoxyphenyl)methyl]propanamide has a molecular weight of 255.75 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-propoxyphenyl)methyl]propanamide is sourced from PubChem (CID 82109238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).