N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide

C14H19IN2O2 — CID 54938221

IUPACN-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1cccc(I)c1
InChIInChI=1S/C14H19IN2O2/c1-4-17(5-2)14(19)10(3)16-13(18)11-7-6-8-12(15)9-11/h6-10H,4-5H2,1-3H3,(H,16,18)
InChIKeyHQCJWDYEUGEKLN-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.28
Rot. Bonds5

About N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide

N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide (PubChem CID 54938221) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide
PubChem CID54938221
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC NameN-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide
SMILESCCN(CC)C(=O)C(C)NC(=O)c1cccc(I)c1
InChIInChI=1S/C14H19IN2O2/c1-4-17(5-2)14(19)10(3)16-13(18)11-7-6-8-12(15)9-11/h6-10H,4-5H2,1-3H3,(H,16,18)
InChIKeyHQCJWDYEUGEKLN-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.28
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

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodobenzamide
CID 130166251
3-iodo-N-pentan-2-ylbenzamide
CID 2886291
3-iodo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 47315731
N-(1-chloropropan-2-yl)-3-iodobenzamide
CID 114299662
4-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
CID 43697529
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818
3-amino-4-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]benzamide
CID 115597576
N-(4-chlorobutan-2-yl)-3-iodobenzamide
CID 83187759
N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide
CID 104981700
2-(aminomethyl)-N-[1-(diethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114325735
N-(1-cyanopropyl)-3-iodobenzamide
CID 55137319
N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 112823548

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide?
The IUPAC name of N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide (CID 54938221) is N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide.
What is the SMILES notation for N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide?
The canonical SMILES for N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide is CCN(CC)C(=O)C(C)NC(=O)c1cccc(I)c1.
What is the InChIKey of N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide?
The InChIKey is HQCJWDYEUGEKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c1-4-17(5-2)14(19)10(3)16-13(18)11-7-6-8-12(15)9-11/h6-10H,4-5H2,1-3H3,(H,16,18).
What are the key properties of N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide?
N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide has a molecular weight of 374.22 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide is sourced from PubChem (CID 54938221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).