N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide

C16H21ClN2O3 — CID 111435658

IUPACN'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide
SMILESO=C(NCC1(O)CCCCCC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O3/c17-12-7-3-4-8-13(12)19-15(21)14(20)18-11-16(22)9-5-1-2-6-10-16/h3-4,7-8,22H,1-2,5-6,9-11H2,(H,18,20)(H,19,21)
InChIKeyYLXDFCGPCBBJCR-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.48
Rot. Bonds3

About N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide

N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide (PubChem CID 111435658) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide
PubChem CID111435658
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide
SMILESO=C(NCC1(O)CCCCCC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O3/c17-12-7-3-4-8-13(12)19-15(21)14(20)18-11-16(22)9-5-1-2-6-10-16/h3-4,7-8,22H,1-2,5-6,9-11H2,(H,18,20)(H,19,21)
InChIKeyYLXDFCGPCBBJCR-UHFFFAOYSA-N
XLogP2.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.48
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-chlorophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 65123307
N'-(2-chlorophenyl)-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]oxamide
CID 71782201
N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]oxamide
CID 111435524
N-[(1-hydroxycyclobutyl)methyl]-N'-(2-phenylphenyl)oxamide
CID 111435548
N'-(5-chloro-2-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]oxamide
CID 111435584
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784
1-(3-chloro-2-methoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103686
1-(3-chloro-2-ethoxyphenyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103677
N-(2-chlorophenyl)-N'-(cycloheptylideneamino)oxamide
CID 19659906
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
N'-(2-chlorophenyl)-N-cyclohexyloxamide
CID 7541659

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide (CID 111435658) is N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide is O=C(NCC1(O)CCCCCC1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide?
The InChIKey is YLXDFCGPCBBJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c17-12-7-3-4-8-13(12)19-15(21)14(20)18-11-16(22)9-5-1-2-6-10-16/h3-4,7-8,22H,1-2,5-6,9-11H2,(H,18,20)(H,19,21).
What are the key properties of N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide?
N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide has a molecular weight of 324.81 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-[(1-hydroxycycloheptyl)methyl]oxamide is sourced from PubChem (CID 111435658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).