5-chloro-N-(4-phenoxyphenyl)pentanamide

C17H18ClNO2 — CID 28971507

IUPAC5-chloro-N-(4-phenoxyphenyl)pentanamide
SMILESO=C(CCCCCl)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18ClNO2/c18-13-5-4-8-17(20)19-14-9-11-16(12-10-14)21-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13H2,(H,19,20)
InChIKeyIRZUENQBUPHSIB-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.83
Rot. Bonds7

About 5-chloro-N-(4-phenoxyphenyl)pentanamide

5-chloro-N-(4-phenoxyphenyl)pentanamide (PubChem CID 28971507) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-chloro-N-(4-phenoxyphenyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(4-phenoxyphenyl)pentanamide
PubChem CID28971507
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name5-chloro-N-(4-phenoxyphenyl)pentanamide
SMILESO=C(CCCCCl)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H18ClNO2/c18-13-5-4-8-17(20)19-14-9-11-16(12-10-14)21-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13H2,(H,19,20)
InChIKeyIRZUENQBUPHSIB-UHFFFAOYSA-N
XLogP4.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-phenoxyphenyl)butanamide
CID 63308949
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
[7-oxo-7-(4-phenoxyanilino)heptyl]boronic acid
CID 42637224
6-azido-N-(4-phenoxyphenyl)hexanamide
CID 42612296
7-azido-N-(4-phenoxyphenyl)heptanamide
CID 44817914
9-azido-N-(4-phenoxyphenyl)nonanamide
CID 44817916
5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
3-chloro-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 43168007
N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
CID 112793225
6-chloro-1-(4-phenoxyphenyl)hexan-2-one
CID 176903490

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-phenoxyphenyl)pentanamide?
The IUPAC name of 5-chloro-N-(4-phenoxyphenyl)pentanamide (CID 28971507) is 5-chloro-N-(4-phenoxyphenyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(4-phenoxyphenyl)pentanamide?
The canonical SMILES for 5-chloro-N-(4-phenoxyphenyl)pentanamide is O=C(CCCCCl)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-chloro-N-(4-phenoxyphenyl)pentanamide?
The InChIKey is IRZUENQBUPHSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-13-5-4-8-17(20)19-14-9-11-16(12-10-14)21-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13H2,(H,19,20).
What are the key properties of 5-chloro-N-(4-phenoxyphenyl)pentanamide?
5-chloro-N-(4-phenoxyphenyl)pentanamide has a molecular weight of 303.79 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-phenoxyphenyl)pentanamide is sourced from PubChem (CID 28971507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).