3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide

C16H23ClN2O — CID 115930604

IUPAC3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1cccc(N)c1Cl)C1CCCC1
InChIInChI=1S/C16H23ClN2O/c1-11(2)10-19(12-6-3-4-7-12)16(20)13-8-5-9-14(18)15(13)17/h5,8-9,11-12H,3-4,6-7,10,18H2,1-2H3
InChIKeyMIBLEPRHTLMGIB-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.96
Rot. Bonds4

About 3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide

3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide (PubChem CID 115930604) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide
PubChem CID115930604
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1cccc(N)c1Cl)C1CCCC1
InChIInChI=1S/C16H23ClN2O/c1-11(2)10-19(12-6-3-4-7-12)16(20)13-8-5-9-14(18)15(13)17/h5,8-9,11-12H,3-4,6-7,10,18H2,1-2H3
InChIKeyMIBLEPRHTLMGIB-UHFFFAOYSA-N
XLogP3.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide
CID 112574718
5-chloro-N-cyclopentyl-2-hydroxy-N-(2-methylpropyl)benzamide
CID 112725805
2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 72810882
3-amino-2-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 112574727
2-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 63110252
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
3-amino-2-chloro-N-ethyl-N-methylbenzamide
CID 112574683
2-amino-N-cyclopropyl-4,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 61107611
3-amino-N-cyclopropyl-N-(3-methylbutyl)-2-nitrobenzamide
CID 115548879
2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107032458
4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 112725824
2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide
CID 114559684

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide (CID 115930604) is 3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide is CC(C)CN(C(=O)c1cccc(N)c1Cl)C1CCCC1.
What is the InChIKey of 3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide?
The InChIKey is MIBLEPRHTLMGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11(2)10-19(12-6-3-4-7-12)16(20)13-8-5-9-14(18)15(13)17/h5,8-9,11-12H,3-4,6-7,10,18H2,1-2H3.
What are the key properties of 3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide?
3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide has a molecular weight of 294.83 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-cyclopentyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 115930604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).