N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide

C14H21ClN2O — CID 114305447

IUPACN-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide
SMILESCC(C)C(CCl)NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21ClN2O/c1-10(2)13(9-15)16-14(18)11-5-7-12(8-6-11)17(3)4/h5-8,10,13H,9H2,1-4H3,(H,16,18)
InChIKeyTZVPXINXHGZJPL-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.75
Rot. Bonds5

About N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide

N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide (PubChem CID 114305447) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide
PubChem CID114305447
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide
SMILESCC(C)C(CCl)NC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C14H21ClN2O/c1-10(2)13(9-15)16-14(18)11-5-7-12(8-6-11)17(3)4/h5-8,10,13H,9H2,1-4H3,(H,16,18)
InChIKeyTZVPXINXHGZJPL-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.75
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-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 114305535
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide
CID 104877065
N-(1-chloro-3-methylbutan-2-yl)-6-methylpyridine-3-carboxamide
CID 114305415
4-(dimethylamino)-N-(1-hydroxypropyl)benzamide
CID 126643932
4-(dimethylamino)-N-(1-methoxypropan-2-yl)benzamide
CID 2904147
N-(1-chloro-3-methylbutan-2-yl)-3-fluoro-4-methylbenzamide
CID 114305513
N-(1-chloro-3-methylbutan-2-yl)-3-methylbenzamide
CID 114305541
2-[[4-(dimethylamino)benzoyl]amino]propanediamide
CID 25471332
N-(1-chloro-3-methylbutan-2-yl)-3,4,5-trifluorobenzamide
CID 113273517
4-(chloromethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79250325
4-(dimethylamino)-N-(3-methyl-2-oxobutyl)benzamide
CID 64997091

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide (CID 114305447) is N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide is CC(C)C(CCl)NC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide?
The InChIKey is TZVPXINXHGZJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(2)13(9-15)16-14(18)11-5-7-12(8-6-11)17(3)4/h5-8,10,13H,9H2,1-4H3,(H,16,18).
What are the key properties of N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide?
N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide has a molecular weight of 268.79 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylbutan-2-yl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 114305447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).