N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide

C14H18ClFN2O2 — CID 108951922

IUPACN'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide
SMILESCCCCCNC(=O)CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2O2/c1-2-3-4-7-17-13(19)9-14(20)18-10-5-6-12(16)11(15)8-10/h5-6,8H,2-4,7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyGBWAPFXNRRDCSL-UHFFFAOYSA-N
MW300.76 g/mol
LogP3.11
Rot. Bonds7

About N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide

N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide (PubChem CID 108951922) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide
PubChem CID108951922
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide
SMILESCCCCCNC(=O)CC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2O2/c1-2-3-4-7-17-13(19)9-14(20)18-10-5-6-12(16)11(15)8-10/h5-6,8H,2-4,7,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyGBWAPFXNRRDCSL-UHFFFAOYSA-N
XLogP3.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(3,4-difluorophenyl)-N-pentylpropanediamide
CID 108951995
N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943891
1-(3-chloro-4-fluorophenyl)-3-nonylthiourea
CID 19651101
1-(3-chloro-4-fluorophenyl)-3-hexylthiourea
CID 19650769
1-N-butyl-4-N-(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043761
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
3-chloro-N-decyl-4-fluoroaniline
CID 83108687
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
3-[[4-(3-chloro-4-fluoroanilino)-4-oxobutanoyl]amino]propanoic acid
CID 50985332
N'-(2-tert-butylphenyl)-N-(3-chloro-4-fluorophenyl)propanediamide
CID 108954633
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide (CID 108951922) is N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide is CCCCCNC(=O)CC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide?
The InChIKey is GBWAPFXNRRDCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-2-3-4-7-17-13(19)9-14(20)18-10-5-6-12(16)11(15)8-10/h5-6,8H,2-4,7,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide?
N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide has a molecular weight of 300.76 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-pentylpropanediamide is sourced from PubChem (CID 108951922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).