N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide

C14H17BrClN3O2 — CID 77044484

IUPACN-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide
SMILESNC(CN(C(=O)c1ccc(Br)cc1Cl)C1CCCC1)=NO
InChIInChI=1S/C14H17BrClN3O2/c15-9-5-6-11(12(16)7-9)14(20)19(8-13(17)18-21)10-3-1-2-4-10/h5-7,10,21H,1-4,8H2,(H2,17,18)
InChIKeyDNQLEMBQDZCUCB-UHFFFAOYSA-N
MW374.67 g/mol
LogP3.23
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide

N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide (PubChem CID 77044484) has the molecular formula C14H17BrClN3O2 and a molecular weight of 374.67 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide
PubChem CID77044484
Molecular FormulaC14H17BrClN3O2
Molecular Weight374.67 g/mol
Exact Mass373.02
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide
SMILESNC(CN(C(=O)c1ccc(Br)cc1Cl)C1CCCC1)=NO
InChIInChI=1S/C14H17BrClN3O2/c15-9-5-6-11(12(16)7-9)14(20)19(8-13(17)18-21)10-3-1-2-4-10/h5-7,10,21H,1-4,8H2,(H2,17,18)
InChIKeyDNQLEMBQDZCUCB-UHFFFAOYSA-N
XLogP3.23
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 52696658
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide
CID 77044705
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 77038093
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide
CID 77038165
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentylthiophene-2-carboxamide
CID 77044861
N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 77038217
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866
3-[(4-bromo-2-chlorobenzoyl)-cyclopropylamino]propanoic acid
CID 60845778
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide
CID 77038100
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide
CID 81479946
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide
CID 77044490
2-[(2-chloro-4-fluorobenzoyl)-cyclopentylamino]acetic acid
CID 60826007

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide (CID 77044484) is N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide is NC(CN(C(=O)c1ccc(Br)cc1Cl)C1CCCC1)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide?
The InChIKey is DNQLEMBQDZCUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3O2/c15-9-5-6-11(12(16)7-9)14(20)19(8-13(17)18-21)10-3-1-2-4-10/h5-7,10,21H,1-4,8H2,(H2,17,18).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide?
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide has a molecular weight of 374.67 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide is sourced from PubChem (CID 77044484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).