3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide

C13H18ClNO2 — CID 110480815

IUPAC3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
SMILESCC(C)(C)Oc1ccc(NC(=O)CCCl)cc1
InChIInChI=1S/C13H18ClNO2/c1-13(2,3)17-11-6-4-10(5-7-11)15-12(16)8-9-14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyLFQYTAFVCLAVRJ-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.43
Rot. Bonds4

About 3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide

3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide (PubChem CID 110480815) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
PubChem CID110480815
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
SMILESCC(C)(C)Oc1ccc(NC(=O)CCCl)cc1
InChIInChI=1S/C13H18ClNO2/c1-13(2,3)17-11-6-4-10(5-7-11)15-12(16)8-9-14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyLFQYTAFVCLAVRJ-UHFFFAOYSA-N
XLogP3.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 98784394
2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride
CID 119752817
3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 43168007
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
3-chloro-N-(4-propoxyphenyl)propanamide
CID 62329515
N-(4-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437429
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 67274992
5-(tert-butylsulfonylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]pentanamide
CID 20630752
methyl 4-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]benzoate
CID 110437454
2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide
CID 110481366
3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoylamino]propanoic acid
CID 98035192
4-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761803

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
The IUPAC name of 3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide (CID 110480815) is 3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide.
What is the SMILES notation for 3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
The canonical SMILES for 3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide is CC(C)(C)Oc1ccc(NC(=O)CCCl)cc1.
What is the InChIKey of 3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
The InChIKey is LFQYTAFVCLAVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(2,3)17-11-6-4-10(5-7-11)15-12(16)8-9-14/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide?
3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide has a molecular weight of 255.74 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide is sourced from PubChem (CID 110480815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).