N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide

C16H25ClN2O — CID 106355828

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NC(CCCl)C(C)(C)C)c1
InChIInChI=1S/C16H25ClN2O/c1-16(2,3)14(9-10-17)18-15(20)12-7-6-8-13(11-12)19(4)5/h6-8,11,14H,9-10H2,1-5H3,(H,18,20)
InChIKeyHCEIOGHTYYBXGJ-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.53
Rot. Bonds5

About N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide

N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide (PubChem CID 106355828) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide
PubChem CID106355828
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NC(CCCl)C(C)(C)C)c1
InChIInChI=1S/C16H25ClN2O/c1-16(2,3)14(9-10-17)18-15(20)12-7-6-8-13(11-12)19(4)5/h6-8,11,14H,9-10H2,1-5H3,(H,18,20)
InChIKeyHCEIOGHTYYBXGJ-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 106355822
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
3-(dimethylamino)-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390448
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-ethylbenzamide
CID 106355559
2-[[3-(dimethylamino)benzoyl]amino]-4-hydroxybutanoic acid
CID 61244556
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-hydroxy-4-methoxybenzamide
CID 106355864
tert-butyl (2R)-2-[[3-(dimethylamino)benzoyl]amino]propanoate
CID 81028212
3-(dimethylamino)-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 111485472
N-(2-chloropropyl)-3-(dimethylamino)benzamide
CID 114296505
2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 114177852
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide (CID 106355828) is N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NC(CCCl)C(C)(C)C)c1.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide?
The InChIKey is HCEIOGHTYYBXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-16(2,3)14(9-10-17)18-15(20)12-7-6-8-13(11-12)19(4)5/h6-8,11,14H,9-10H2,1-5H3,(H,18,20).
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide?
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide has a molecular weight of 296.84 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)-3-(dimethylamino)benzamide is sourced from PubChem (CID 106355828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).