N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide

C15H22ClN3O2 — CID 106098354

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C15H22ClN3O2/c1-4-7-18-12-6-5-10(16)8-11(12)14(21)19-15(2,3)9-13(17)20/h5-6,8,18H,4,7,9H2,1-3H3,(H2,17,20)(H,19,21)
InChIKeyISFZWXSQUPQHID-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.55
Rot. Bonds7

About N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide (PubChem CID 106098354) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide
PubChem CID106098354
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C15H22ClN3O2/c1-4-7-18-12-6-5-10(16)8-11(12)14(21)19-15(2,3)9-13(17)20/h5-6,8,18H,4,7,9H2,1-3H3,(H2,17,20)(H,19,21)
InChIKeyISFZWXSQUPQHID-UHFFFAOYSA-N
XLogP2.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 106098462
5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227613
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide
CID 62169913
5-chloro-N-hexan-3-yl-2-(propylamino)benzamide
CID 63498965
5-chloro-N-(4-iodophenyl)-2-(propylamino)benzamide
CID 63499868
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide
CID 106097445
5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide
CID 62177457
5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-(propylamino)benzamide
CID 82949522
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
CID 62359667

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide (CID 106098354) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide is CCCNc1ccc(Cl)cc1C(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide?
The InChIKey is ISFZWXSQUPQHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-4-7-18-12-6-5-10(16)8-11(12)14(21)19-15(2,3)9-13(17)20/h5-6,8,18H,4,7,9H2,1-3H3,(H2,17,20)(H,19,21).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide has a molecular weight of 311.81 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide is sourced from PubChem (CID 106098354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).