N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide

C14H16ClFN2O3 — CID 111490898

IUPACN'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
SMILESO=C(NCC1CCCC1O)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H16ClFN2O3/c15-10-5-4-9(6-11(10)16)18-14(21)13(20)17-7-8-2-1-3-12(8)19/h4-6,8,12,19H,1-3,7H2,(H,17,20)(H,18,21)
InChIKeyNCJGOIXGKNMVFC-UHFFFAOYSA-N
MW314.74 g/mol
LogP1.69
Rot. Bonds3

About N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide

N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide (PubChem CID 111490898) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
PubChem CID111490898
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC NameN'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
SMILESO=C(NCC1CCCC1O)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H16ClFN2O3/c15-10-5-4-9(6-11(10)16)18-14(21)13(20)17-7-8-2-1-3-12(8)19/h4-6,8,12,19H,1-3,7H2,(H,17,20)(H,18,21)
InChIKeyNCJGOIXGKNMVFC-UHFFFAOYSA-N
XLogP1.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490961
N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490935
N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490962
N-(2-amino-2-sulfanylideneethyl)-N'-(4-chloro-3-fluorophenyl)oxamide
CID 54955496
N'-(4-chloro-3-fluorophenyl)oxamide
CID 70886699
N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490941
N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide
CID 78129283
1-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]-3-[(2-hydroxycyclopentyl)methyl]urea
CID 154834983
N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide
CID 111490932
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N'-(4-chloro-3-fluorophenyl)oxamide
CID 46199291

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide (CID 111490898) is N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide.
What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide is O=C(NCC1CCCC1O)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The InChIKey is NCJGOIXGKNMVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c15-10-5-4-9(6-11(10)16)18-14(21)13(20)17-7-8-2-1-3-12(8)19/h4-6,8,12,19H,1-3,7H2,(H,17,20)(H,18,21).
What are the key properties of N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide has a molecular weight of 314.74 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide is sourced from PubChem (CID 111490898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).