N'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide

C14H14ClFN2O3 — CID 111798888

IUPACN'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C14H14ClFN2O3/c15-11-4-3-10(6-12(11)16)18-14(21)13(20)17-9-2-1-8(5-9)7-19/h1-4,6,8-9,19H,5,7H2,(H,17,20)(H,18,21)/t8-,9+/m0/s1
InChIKeyLEUZIMCWHZIMDO-DTWKUNHWSA-N
MW312.73 g/mol
LogP1.47
Rot. Bonds3

About N'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide

N'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide (PubChem CID 111798888) has the molecular formula C14H14ClFN2O3 and a molecular weight of 312.73 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide
PubChem CID111798888
Molecular FormulaC14H14ClFN2O3
Molecular Weight312.73 g/mol
Exact Mass312.07
IUPAC NameN'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C14H14ClFN2O3/c15-11-4-3-10(6-12(11)16)18-14(21)13(20)17-9-2-1-8(5-9)7-19/h1-4,6,8-9,19H,5,7H2,(H,17,20)(H,18,21)/t8-,9+/m0/s1
InChIKeyLEUZIMCWHZIMDO-DTWKUNHWSA-N
XLogP1.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(3,4,5-trifluorophenyl)urea
CID 111637010
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide
CID 111798853
N'-(4-chloro-3-fluorophenyl)-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxamide
CID 46200212
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
N'-(4-chloro-3-fluorophenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
CID 46198843
N'-(4-chloro-3-fluorophenyl)oxamide
CID 70886699
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-naphthalen-2-ylurea
CID 111631436
N-(4-chloro-3-fluorophenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
CID 111798976
N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490898
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
N'-(4-chloro-3-fluorophenyl)-N-[2-(diaminomethylideneamino)cyclopentyl]oxamide
CID 78129283

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide?
The IUPAC name of N'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide (CID 111798888) is N'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide.
What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide?
The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide is O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide?
The InChIKey is LEUZIMCWHZIMDO-DTWKUNHWSA-N. The full InChI is InChI=1S/C14H14ClFN2O3/c15-11-4-3-10(6-12(11)16)18-14(21)13(20)17-9-2-1-8(5-9)7-19/h1-4,6,8-9,19H,5,7H2,(H,17,20)(H,18,21)/t8-,9+/m0/s1.
What are the key properties of N'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide?
N'-(4-chloro-3-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide has a molecular weight of 312.73 g/mol, XLogP of 1.47, 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-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]oxamide is sourced from PubChem (CID 111798888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).