N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide

C14H16Cl2N2O3 — CID 111490962

IUPACN'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
SMILESO=C(NCC1CCCC1O)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-9-4-5-11(10(16)6-9)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)
InChIKeyWJCHGOPJZBBXFV-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.21
Rot. Bonds3

About N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide

N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide (PubChem CID 111490962) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
PubChem CID111490962
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC NameN'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
SMILESO=C(NCC1CCCC1O)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-9-4-5-11(10(16)6-9)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)
InChIKeyWJCHGOPJZBBXFV-UHFFFAOYSA-N
XLogP2.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.21
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'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490935
N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490898
N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490961
N-cyclopropyl-N'-(2,4-dichlorophenyl)oxamide
CID 108502911
N'-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)oxamide
CID 78843041
N'-(4-chloro-2-fluorophenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490664
N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566950
1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 103709987
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-dichlorophenyl)urea
CID 40648977
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-dichlorophenyl)urea
CID 40648978

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The IUPAC name of N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide (CID 111490962) is N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide.
What is the SMILES notation for N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The canonical SMILES for N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide is O=C(NCC1CCCC1O)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The InChIKey is WJCHGOPJZBBXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-9-4-5-11(10(16)6-9)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'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide has a molecular weight of 331.20 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide is sourced from PubChem (CID 111490962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).