4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide

C14H18Cl2N2O2 — CID 82833373

IUPAC4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
SMILESNc1c(Cl)cc(C(=O)NCCOC2CCCC2)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c15-11-7-9(8-12(16)13(11)17)14(19)18-5-6-20-10-3-1-2-4-10/h7-8,10H,1-6,17H2,(H,18,19)
InChIKeyDPXKERQSHXLSLE-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.26
Rot. Bonds5

About 4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide

4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide (PubChem CID 82833373) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
PubChem CID82833373
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
SMILESNc1c(Cl)cc(C(=O)NCCOC2CCCC2)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c15-11-7-9(8-12(16)13(11)17)14(19)18-5-6-20-10-3-1-2-4-10/h7-8,10H,1-6,17H2,(H,18,19)
InChIKeyDPXKERQSHXLSLE-UHFFFAOYSA-N
XLogP3.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
CID 63834672
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide
CID 103908078
5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63834843
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547
2-chloro-N-(2-cyclopentyloxyethyl)-6-methylpyridine-4-carboxamide
CID 113378437
2-amino-N-(2-cyclopentyloxyethyl)pyridine-4-carboxamide
CID 63834137
4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 82787459
2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide
CID 106501857
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
CID 103872832
4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide (CID 82833373) is 4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide is Nc1c(Cl)cc(C(=O)NCCOC2CCCC2)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide?
The InChIKey is DPXKERQSHXLSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c15-11-7-9(8-12(16)13(11)17)14(19)18-5-6-20-10-3-1-2-4-10/h7-8,10H,1-6,17H2,(H,18,19).
What are the key properties of 4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide?
4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide has a molecular weight of 317.22 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide is sourced from PubChem (CID 82833373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).