3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide

C14H20ClIN2O — CID 103734734

IUPAC3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H20ClIN2O/c1-14(2,9-18(3)4)8-17-13(19)10-5-6-12(16)11(15)7-10/h5-7H,8-9H2,1-4H3,(H,17,19)
InChIKeyVMVHYRWBXIQKBR-UHFFFAOYSA-N
MW394.68 g/mol
LogP3.26
Rot. Bonds5

About 3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide

3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide (PubChem CID 103734734) has the molecular formula C14H20ClIN2O and a molecular weight of 394.68 g/mol. Its IUPAC name is 3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide
PubChem CID103734734
Molecular FormulaC14H20ClIN2O
Molecular Weight394.68 g/mol
Exact Mass394.03
IUPAC Name3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide
SMILESCN(C)CC(C)(C)CNC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H20ClIN2O/c1-14(2,9-18(3)4)8-17-13(19)10-5-6-12(16)11(15)7-10/h5-7H,8-9H2,1-4H3,(H,17,19)
InChIKeyVMVHYRWBXIQKBR-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.68
LogP ≤ 53.26
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

4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-iodobenzamide
CID 55684463
3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103736181
3-amino-4-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
CID 61091598
3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide
CID 103884729
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3,5-dihydroxybenzamide
CID 103893143
3-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzamide
CID 103840147
3,5-dichloro-N-[4-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoyl]phenyl]benzamide
CID 55638196
3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide
CID 60682140
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide
CID 61293798
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-4-carboxamide
CID 62151627
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807
3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
CID 103737133

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide?
The IUPAC name of 3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide (CID 103734734) is 3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide is CN(C)CC(C)(C)CNC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide?
The InChIKey is VMVHYRWBXIQKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClIN2O/c1-14(2,9-18(3)4)8-17-13(19)10-5-6-12(16)11(15)7-10/h5-7H,8-9H2,1-4H3,(H,17,19).
What are the key properties of 3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide?
3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide has a molecular weight of 394.68 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide is sourced from PubChem (CID 103734734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).