N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide

C14H17IN2O2 — CID 47212490

IUPACN-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide
SMILESNC(=O)CN(C(=O)c1cccc(I)c1)C1CCCC1
InChIInChI=1S/C14H17IN2O2/c15-11-5-3-4-10(8-11)14(19)17(9-13(16)18)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H2,16,18)
InChIKeyIYDKGGUOTDHEIX-UHFFFAOYSA-N
MW372.21 g/mol
LogP2.16
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide

N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide (PubChem CID 47212490) has the molecular formula C14H17IN2O2 and a molecular weight of 372.21 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide
PubChem CID47212490
Molecular FormulaC14H17IN2O2
Molecular Weight372.21 g/mol
Exact Mass372.03
IUPAC NameN-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide
SMILESNC(=O)CN(C(=O)c1cccc(I)c1)C1CCCC1
InChIInChI=1S/C14H17IN2O2/c15-11-5-3-4-10(8-11)14(19)17(9-13(16)18)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H2,16,18)
InChIKeyIYDKGGUOTDHEIX-UHFFFAOYSA-N
XLogP2.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[cyclopropyl-(3-iodobenzoyl)amino]acetate
CID 61400649
N-(2-amino-2-oxoethyl)-N-cyclopentyl-1H-indole-6-carboxamide
CID 61217148
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 47212500
N-(2-amino-2-oxoethyl)-3-fluoro-N-piperidin-4-ylbenzamide
CID 60800351
2-[(1,1-dioxothiolan-3-yl)-(3-iodobenzoyl)amino]acetic acid
CID 60845907
N-cyclopropyl-3-iodo-N-(pyridin-4-ylmethyl)benzamide
CID 60674055
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
N-cyclopropyl-3-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 61400460
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60805866
N-(2-amino-2-oxoethyl)-N-cyclopentyl-1H-indole-3-carboxamide
CID 60958792
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide
CID 76929197

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide (CID 47212490) is N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide is NC(=O)CN(C(=O)c1cccc(I)c1)C1CCCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide?
The InChIKey is IYDKGGUOTDHEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O2/c15-11-5-3-4-10(8-11)14(19)17(9-13(16)18)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H2,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide?
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide has a molecular weight of 372.21 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-iodobenzamide is sourced from PubChem (CID 47212490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).